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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | FEN1 | P39748 | 2/20 | 0.47 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL28013960 | 0.92 | TSHR (0.56) | TSHRAKR1B1ALDH1A1LMNACYP1A2 | |
| Bicarbonate SCHEMBL15402554 | 0.89 | TSHR (0.65) | TSHRAKR1B1ALDH1A1LMNACYP1A2 | |
| Carbamic Acid SCHEMBL28072909 | 0.84 | TSHR (0.60) | TSHRAKR1B1ALDH1A1LMNACYP1A2 | |
| 1,2-Dichlorobenzene SCHEMBL27754908 | 0.83 | TSHR (0.59) | TSHRAKR1B1ALDH1A1LMNACYP1A2 | |
| SCHEMBL27775696 | 0.83 | ALDH1A1 (0.59) | TSHRAKR1B1ALDH1A1LMNACYP1A2 | |
| 1,2-Dichlorobenzene SCHEMBL8528441 | 0.83 | TSHR (0.59) | TSHRAKR1B1ALDH1A1LMNACYP1A2 | |
| Methyl Alcohol SCHEMBL27716220 | 0.83 | TSHR (0.60) | TSHRALDH1A1LMNACYP1A2CYP2D6 | |
| Benzene SCHEMBL28120498 | 0.83 | TSHR (0.58) | TSHRAKR1B1ALDH1A1LMNACYP1A2 | |
| Oxalic Acid SCHEMBL28200216 | 0.82 | TSHR (0.58) | TSHRAKR1B1ALDH1A1LMNAFEN1 | |
| 1,2-Dichlorobenzene SCHEMBL29087567 | 0.81 | TSHR (0.56) | TSHRAKR1B1ALDH1A1LMNACYP1A2 |
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-1024691-A4 | SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS | ISP INVESTMENTS INC (US) | 2004-08-18 | — | — | EP | disclosed |
| EP-1024691-A1 | SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS | ISP INVESTMENTS INC. (US) | 2000-08-09 | — | — | EP | disclosed |
| WO-1998033378-A1 | SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS | ISP INVESTMENTS INC. (US) | 1998-08-06 | — | — | WO | disclosed |
| WO-1992002509-A1 | HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES | MONSANTO COMPANY (US) | 1992-02-20 | — | — | WO | disclosed |