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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | STAT1 | P42224 | 1/20 | 0.43 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2578895 | 0.85 | MAOB (0.49) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| Acetic Acid SCHEMBL723858 | 0.84 | ALDH1A1 (0.57) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL4449250 | 0.70 | ERAP1 (0.68) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL27177909 | 0.70 | KDM4E (0.35) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| Acetic Acid SCHEMBL10448268 | 0.69 | P2RY6 (0.41) | KDM4EALDH1A1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL29351705 | 0.68 | ALDH1A1 (0.69) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL37694 | 0.68 | ALDH1A1 (0.69) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL27625865 | 0.67 | KDM4E (0.42) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL2238641 | 0.67 | KDM4E (0.40) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| Ethylene SCHEMBL28055534 | 0.67 | ALDH1A1 (0.67) | KDM4EALDH1A1NPC1RAB9AKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1704256-A4 | DETECTION AND QUANTIFICATION OF ANALYTES IN SOLUTION USING POLYMERS | US GENOMICS INC (US) | 2008-01-16 | — | — | EP | disclosed |
| EP-1704256-A2 | DETECTION AND QUANTIFICATION OF ANALYTES IN SOLUTION USING POLYMERS | U.S. Genomics, Inc. (US) | 2006-09-27 | — | — | EP | disclosed |
| WO-2006098772-A2 | SYSTEMS AND METHODS FOR MEASUREMENT OPTIMIZATION | U.S. GENOMICS, INC. (US) | 2006-09-21 | — | — | WO | disclosed |
| WO-2005067692-A2 | DETECTION AND QUANTIFICATION OF ANALYTES IN SOLUTION USING POLYMERS | U.S. GENOMICS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |