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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3400867 | 1.00 | CTSK (0.43) | CTSKCYP2D6EPHX1TDP1CA12 | |
| Bicarbonate SCHEMBL3253206 | 0.96 | CTSK (0.44) | CTSKCYP2D6EPHX1TDP1CA12 | |
| Bicarbonate SCHEMBL3254172 | 0.96 | CTSK (0.44) | CTSKCYP2D6EPHX1TDP1CA12 | |
| Bicarbonate SCHEMBL3256781 | 0.96 | CTSK (0.44) | CTSKCYP2D6EPHX1TDP1CA12 | |
| SCHEMBL5146684 | 0.96 | CTSK (0.46) | CTSKCYP2D6EPHX1TDP1CA12 | |
| SCHEMBL5146691 | 0.96 | CTSK (0.46) | CTSKCYP2D6EPHX1TDP1CA12 | |
| Bicarbonate SCHEMBL3256745 | 0.90 | CTSK (0.42) | CTSKCYP2D6EPHX1TDP1CA12 | |
| Bicarbonate SCHEMBL3258865 | 0.90 | CTSK (0.42) | CTSKCYP2D6EPHX1TDP1CA12 | |
| Bicarbonate SCHEMBL3248764 | 0.90 | CTSK (0.42) | CTSKCYP2D6EPHX1TDP1CA12 | |
| Acetic Acid SCHEMBL3808908 | 0.89 | CTSK (0.45) | CTSKCYP2D6EPHX1TDP1CA12 |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013151796-A1 | CLONIDINE COMPOUNDS IN A BIODEGRADABLE MATRIX | WARSAW ORTHOPEDIC, INC. (US) | 2013-10-10 | — | — | WO | claimed |
| US-8299291-B2 | Methods of synthesizing 1-(acyloxy)-alkyl carbamate prodrugs | XENOPORT, INC. (US) | 2012-10-30 | — | — | US | claimed |
| WO-2012075451-A2 | CLONIDINE AND GABA COMPOUNDS IN A BIODEGRADABLE POLYMER CARRIER | WARSAW ORTHOPEDIC, INC. (US) | 2012-06-07 | — | — | WO | claimed |
| EP-2403481-A1 | ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A GABAPENTIN PRODRUG | XenoPort, Inc. (US) | 2012-01-11 | — | — | EP | claimed |
| WO-2010102252-A1 | ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A GABAPENTIN PRODRUG | XENOPORT, INC. (US) | 2010-09-10 | — | — | WO | claimed |
| US-20100087667-A1 | METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS | XENOPORT, INC. (US) | 2010-04-08 | — | — | US | claimed |
| EP-2086530-A1 | USE OF GABAPENTIN AND PREGABALIN PRODRUGS FOR TREATING TINNITUS | Xenoport, Inc. (US) | 2009-08-12 | — | — | EP | claimed |
| WO-2008157408-A2 | USE OF PRODRUGS OF GABA ANALOGS, ANTISPASTICITY AGENTS, AND PRODRUGS OF GABA B RECEPTOR AGONISTS FOR TREATING SPASTICITY | XENOPORT, INC. (US) | 2008-12-24 | — | — | WO | claimed |
| WO-2008060572-A1 | USE OF GABAPENTIN AND PREGABALIN PRODRUGS FOR TREATING TINNITUS | XENOPORT, INC. (US) | 2008-05-22 | — | — | WO | claimed |
| EP-1677767-A4 | CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG | XENOPORT INC (US) | 2008-03-05 | — | — | EP | claimed |
| EP-1811986-A1 | GABAPENTIN PRODRUG SUSTAINED RELEASE ORAL DOSAGE FORMS | Xenoport, Inc. (US) | 2007-08-01 | — | — | EP | claimed |
| WO-2007027477-A2 | TREATING VULVODYNIA USING PRODRUGS OF GABA ANALOGS | XENOPORT, INC. (US) | 2007-03-08 | — | — | WO | claimed |
| EP-1677767-A2 | CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG | Xenoport, Inc. (US) | 2006-07-12 | — | — | EP | claimed |
| EP-1677812-A2 | TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS | Xenoport, Inc. (US) | 2006-07-12 | — | — | EP | claimed |
| WO-2006050514-A1 | GABAPENTIN PRODRUG SUSTAINED RELEASE ORAL DOSAGE FORMS | XENOPORT, INC. (US) | 2006-05-11 | — | — | WO | claimed |
| WO-2005037784-A2 | CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG | XENOPORT, INC. (US) | 2005-04-28 | — | — | WO | claimed |
| WO-2005027850-A2 | TREATING OR PREVENTING RESTLESS LEGS SYNDROME USING PRODRUGS OF GABA ANALOGS | XENOPORT, INC. (US) | 2005-03-31 | — | — | WO | claimed |
| US-20190152900-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | ARBOR PHARMACEUTICALS LLC (US) | 2019-05-23 | — | — | US | disclosed |
| WO-2005025562-A1 | TREATING AND/OR PREVENTING URINARY INCONTINENCE USING PRODRUGS OF GABA ANALOGS | XENOPORT, INC. (US) | 2005-03-24 | — | — | WO | disclosed |
| WO-2004089289-A2 | TREATING OR PREVENTING HOT FLASHES USING PRODRUGS OF GABA ANALOGS | XENOPORT, INC. (US) | 2004-10-21 | — | — | WO | 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 (2 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-20190152900-A1 | CRYSTALLINE FORM OF y-AMINOBUTYRIC ACID ANALOG | GABRB2, GABRB1, GABRB3 | OPRK1 517/4885CTSK 3017/4885CYP2D6 2184/4885 |
| US-20100087667-A1 | METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS | CPS1, ASNS, NAAA | OPRK1 2305/4885CTSK 326/4885CYP2D6 64/4885 |
“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.