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 | |
|---|---|---|---|---|
| ▸ | CHRNB4 known ✓ | P30926 | 5/20 | 0.43 |
| ▸ | CHRNA3 known ✓ | P32297 | 5/20 | 0.43 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.45 |
| ▸ | FABP7 | O15540 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | SCN1A | P35498 | 2/20 | 0.41 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.41 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1252686 | 0.86 | FABP5 (0.42) | FABP5FABP7KMT2AEPHX2 | |
| SCHEMBL1157567 | 0.85 | FABP5 (0.49) | FABP5FABP7KMT2AEPHX2CA1 | |
| SCHEMBL30662743 | 0.85 | FABP5 (0.49) | FABP5FABP7KMT2AEPHX2CA1 | |
| SCHEMBL3209504 | 0.81 | FABP5 (0.46) | FABP5FABP7KMT2ACHRNB2CHRNB4 | |
| SCHEMBL3212375 | 0.79 | FABP5 (0.46) | FABP5FABP7KMT2ACHRNB2CHRNB4 | |
| SCHEMBL29634336 | 0.79 | ALDH1A1 (0.59) | KMT2ASCN1ASCN2ASCN3AALDH1A1 | |
| SCHEMBL6599414 | 0.79 | ALDH1A1 (0.59) | KMT2ASCN1ASCN2ASCN3AALDH1A1 | |
| SCHEMBL8025023 | 0.78 | CA1 (0.45) | FABP5FABP7KMT2AEPHX2CA1 | |
| SCHEMBL1252389 | 0.78 | FABP5 (0.41) | FABP5FABP7KMT2ACHRNB2CHRNB4 | |
| SCHEMBL3221152 | 0.77 | FABP5 (0.44) | FABP5FABP7KMT2AEPHX2CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1383799-A1 | PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY | TransTech Pharma Inc. (US) | 2004-01-28 | — | — | EP | disclosed |
| WO-2003084997-A1 | PROBES, SYSTEMS AND METHODS FOR DRUG DISCOVERY | TRANSTECH PHARMA, INC. (US) | 2003-10-16 | — | — | WO | disclosed |