Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 8/20 | 0.38 |
| ▸ | CTSL | P07711 | 7/20 | 0.38 |
| ▸ | CTSS | P25774 | 4/20 | 0.38 |
| ▸ | CTSB | P07858 | 5/20 | 0.36 |
| ▸ | NPFFR1 | Q9GZQ6 | 3/20 | 0.36 |
| ▸ | NPFFR2 | Q9Y5X5 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PPID | Q08752 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL560784 | 0.88 | CTSS (0.36) | LMNACTSLCTSSCTSB | |
| Acetic Acid SCHEMBL25582 | 0.84 | LMNA (0.36) | LMNACTSKCTSLCTSBALDH1A1 | |
| SCHEMBL25473 | 0.83 | USP2 (0.33) | LMNAALDH1A1SMN1; SMN2 | |
| Acetic Acid SCHEMBL25419 | 0.79 | NPFFR1 (0.43) | CTSKCTSLCTSSCTSBNPFFR1 | |
| Acetic Acid SCHEMBL1046437 | 0.79 | NPFFR1 (0.45) | CTSKCTSLCTSSCTSBNPFFR1 | |
| SCHEMBL6881280 | 0.77 | — | — | |
| SCHEMBL7112998 | 0.77 | NPFFR1 (0.45) | CTSKCTSLCTSSCTSBNPFFR1 | |
| Acetic Acid SCHEMBL1046385 | 0.77 | SYK (0.46) | CTSKCTSLCTSSCTSBNPFFR1 | |
| SCHEMBL25581 | 0.75 | SLC15A1 (0.36) | LMNACTSLCTSSCTSBALDH1A1 | |
| Acetic Acid SCHEMBL2688851 | 0.74 | CTSK (0.45) | CTSKCTSLCTSSCTSBNPFFR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160090353-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2016-03-31 | — | — | US | disclosed |
| US-9238616-B2 | Prodrugs of gaba analogs, compositions and uses thereof | XENOPORT, INC. (US) | 2016-01-19 | — | — | US | disclosed |
| US-20150307442-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | ARBOR PHARMACEUTICALS, LLC | 2015-10-29 | — | — | US | disclosed |
| US-20130102641-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2013-04-25 | — | — | US | disclosed |
| US-8367722-B2 | Methods of using prodrugs of pregabalin | XENOPORT, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-8168623-B2 | Prodrugs of GABA analogs, compositions and uses thereof | XENOPORT, INC. (US) | 2012-05-01 | — | — | US | disclosed |
| US-20120035258-A1 | METHODS OF USING PRODRUGS OF PREGABALIN | XENOPORT, INC. (US) | 2012-02-09 | — | — | US | disclosed |
| US-8048917-B2 | Prodrugs of GABA analogs, compositions and uses thereof | XENOPORT, INC. (US) | 2011-11-01 | — | — | US | disclosed |
| US-20100267946-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| US-7790708-B2 | Prodrugs of GABA analogs, compositions and uses thereof | XENOPORT, INC. (US) | 2010-09-07 | — | — | US | disclosed |
| US-7186855-B2 | Prodrugs of GABA analogs, compositions and uses thereof | XENOPORT, INC. (US) | 2007-03-06 | — | — | US | disclosed |
| US-20070010453-A1 | Prodrugs of GABA analogs, compositions and uses thereof | XENOPORT, INC. | 2007-01-11 | — | — | US | disclosed |
| US-20060229361-A1 | Prodrugs of GABA analogs, compositions and uses thereof | XENOPORT, INC. | 2006-10-12 | — | — | US | disclosed |
| US-6972341-B2 | Prodrugs of GABA analogs, compositions and uses thereof | XENO PORT, INC. (US) | 2005-12-06 | — | — | US | disclosed |
| US-6818787-B2 | FOR THERAPY AND PROPHYLAXIS OF EPILEPSY, DEPRESSION, ANXIETY, PSYCHOSIS, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, PANIC, PAIN, INFLAMMATORY DISEASE, INSOMNIA, GASTROINTESTINAL DISORDERS | XENOPORT, INC. | 2004-11-16 | — | — | US | disclosed |
| US-20040077553-A1 | Prodrugs of GABA analogs, compositions and uses thereof | XENOPORT, INC. | 2004-04-22 | — | — | US | disclosed |
| US-20040006132-A1 | Prodrugs of gaba analogs, compositions and uses thereof | ARBOR PHARMACEUTICALS, LLC | 2004-01-08 | — | — | US | disclosed |
| US-20030176398-A1 | Prodrugs of GABA analogs, compositions and uses thereof | HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT | 2003-09-18 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100267946-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | GABRB1, GABRB2, GABRB3 | LMNA 3012/4885CTSK 2845/4885CTSL 2535/4885 |
| US-20160090353-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | GABRB1, GABRB2, GABRB3 | LMNA 3012/4885CTSK 2845/4885CTSL 2535/4885 |
| US-20150307442-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | GABRB1, GABRB2, GABRB3 | LMNA 3012/4885CTSK 2845/4885CTSL 2535/4885 |
| US-20070010453-A1 | Prodrugs of GABA analogs, compositions and uses thereof | GABRB1, GABRB2, GABRB3 | LMNA 3012/4885CTSK 2845/4885CTSL 2535/4885 |
| US-20040077553-A1 | Prodrugs of GABA analogs, compositions and uses thereof | GABRB1, GABRB2, GABRB3 | LMNA 3012/4885CTSK 2845/4885CTSL 2535/4885 |
| US-20040006132-A1 | Prodrugs of gaba analogs, compositions and uses thereof | GABRB1, GABRB2, GABRB3 | LMNA 3012/4885CTSK 2845/4885CTSL 2535/4885 |
| US-20120035258-A1 | METHODS OF USING PRODRUGS OF PREGABALIN | GABBR1, GABRB2, GABBR2 | LMNA 2052/4885CTSK 3145/4885CTSL 2297/4885 |
| US-20130102641-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | GABRB1, GABRB2, GABRB3 | LMNA 3012/4885CTSK 2845/4885CTSL 2535/4885 |
| US-20060229361-A1 | Prodrugs of GABA analogs, compositions and uses thereof | GABRB1, GABRB2, GABRB3 | LMNA 3012/4885CTSK 2845/4885CTSL 2535/4885 |
| US-20030176398-A1 | Prodrugs of GABA analogs, compositions and uses thereof | GABRB1, GABRB2, GABRB3 | LMNA 3012/4885CTSK 2845/4885CTSL 2535/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.