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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | SCN1A | P35498 | 1/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.53 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4347373 | 0.98 | LMNA (0.55) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Bicarbonate SCHEMBL3256726 | 0.96 | LMNA (0.54) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Bicarbonate SCHEMBL3255892 | 0.93 | LMNA (0.51) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Acetic Acid SCHEMBL5145744 | 0.88 | LMNA (0.51) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Acetic Acid SCHEMBL4755059 | 0.86 | LMNA (0.48) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL914469 | 0.86 | KMT2A (0.45) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL914468 | 0.86 | KMT2A (0.45) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Bicarbonate SCHEMBL3259766 | 0.85 | LMNA (0.52) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| Acetic Acid SCHEMBL4757552 | 0.84 | LMNA (0.46) | LMNACYP1A2CYP2D6SCN1ASCN2A | |
| SCHEMBL915412 | 0.83 | LMNA (0.42) | LMNACYP1A2CYP2D6SCN1ASCN2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | disclosed |
| EP-1569895-A4 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT INC (US) | 2007-07-11 | — | — | EP | disclosed |
| EP-1569895-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | Xenoport, Inc. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052844-A1 | PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF | XENOPORT, INC. (US) | 2004-06-24 | — | — | WO | disclosed |