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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11481750 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL2744755 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNACES2CES1NAPRT | |
| SCHEMBL1415585 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNACES2CES1NAPRT | |
| SCHEMBL9733837 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNACES2CES1NAPRT | |
| SCHEMBL3888504 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNACES2CES1NAPRT | |
| Sulfuric Acid SCHEMBL9126645 | 0.80 | ALDH1A1 (0.44) | ALDH1A1LMNACES2CES1HSD17B10 | |
| Nitrobenzene SCHEMBL6689837 | 0.78 | ALDH1A1 (0.76) | ALDH1A1LMNACES2CES1HSD17B10 | |
| Sulfuric Acid SCHEMBL11152215 | 0.78 | ALDH1A1 (0.42) | ALDH1A1LMNACES2CES1HSD17B10 | |
| SCHEMBL11922684 | 0.73 | MAPK1 (0.65) | ALDH1A1LMNACES1SMN1; SMN2MAPT | |
| Nitrobenzene SCHEMBL11331939 | 0.73 | ALDH1A1 (0.76) | ALDH1A1LMNACES2CES1HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5155793-A | OPTICAL COMPONENT FOR APPLICATIONS IN INTEGRATED OPTICS | THOMSON-CSF (FR) | 1992-10-13 | — | — | US | disclosed |