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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 8/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GGT1 | P19440 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5701094 | 0.92 | TSHR (0.45) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL28117122 | 0.90 | TSHR (0.43) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL5701098 | 0.88 | ALDH1A1 (0.56) | TSHRALDH1A1CA1CA2CA9 | |
| Ammonia Solution, Strong SCHEMBL28961612 | 0.86 | ALDH1A1 (0.54) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL29200473 | 0.85 | ALDH1A1 (0.48) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL29200476 | 0.85 | ALDH1A1 (0.48) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL29399907 | 0.82 | NPC1 (0.46) | TSHRESR1HPGDLMNAKMT2A | |
| SCHEMBL28038871 | 0.82 | NPC1 (0.46) | TSHRESR1HPGDLMNAKMT2A | |
| Phenol SCHEMBL27752577 | 0.82 | ALDH1A1 (0.49) | ALDH1A1CA1CA2CA9KDM4E | |
| Acetic Acid SCHEMBL9637116 | 0.81 | TSHR (0.41) | TSHRALDH1A1CA1CA2CA9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-62265352-A | — | — | None | — | — | JP | disclosed |
| EP-0587164-B1 | Method and apparatus for ink jet recording | CANON KK (JP) | 1998-12-23 | — | — | EP | disclosed |
| US-5640187-A | INK BLEND OF WATER, PIGMENT AND RESIN | CANON KABUSHIKI KAISHA (JP) | 1997-06-17 | — | — | US | disclosed |
| EP-0587164-A2 | Method and apparatus for ink jet recording | CANON KABUSHIKI KAISHA (JP) | 1994-03-16 | — | — | EP | disclosed |
| JP-S62265352-A | DEODORIZING RESIN COMPOSITION AND MOLDED PRODUCT THEREOF | DAINICHI COLOR & CHEM MFG CO LTD | 1987-11-18 | — | — | JP | disclosed |