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 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ALPG | P10696 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7872916 | 0.83 | CA2 (0.38) | ALDH1A1LMNAGAAMAPTATM | |
| Acetic Acid SCHEMBL9603211 | 0.79 | CA2 (0.41) | ALDH1A1LMNAGAAMAPTATM | |
| Acetic Acid SCHEMBL7872955 | 0.79 | CA2 (0.41) | ALDH1A1LMNAGAAMAPTATM | |
| Acetic Acid SCHEMBL7865550 | 0.79 | CA2 (0.41) | ALDH1A1LMNAGAAMAPTATM | |
| Acetic Acid SCHEMBL7871097 | 0.79 | CA2 (0.41) | ALDH1A1LMNAGAAMAPTATM | |
| Acetic Acid SCHEMBL9603209 | 0.77 | CA2 (0.39) | ALDH1A1LMNAGAAMAPTATM | |
| Tetraphenylphosphonium SCHEMBL1037056 | 0.76 | CA2 (0.42) | ALDH1A1GAAMAPTCA2CA4 | |
| Tetraphenylphosphonium SCHEMBL7944626 | 0.74 | CA2 (0.41) | ALDH1A1GAAMAPTCA2CA4 | |
| Hydrochloric Acid SCHEMBL9377368 | 0.73 | ALDH1A1 (0.43) | ALDH1A1LMNAGAAMAPTATM | |
| Carbamic Acid SCHEMBL29220486 | 0.73 | MAPT (0.43) | ALDH1A1MAPTCA2CA4CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4118373-A | Preparation of urethane elastomers from epoxy resin, polyols and polyisocyanates using a catalyst composition of an organometal salt with either nitrogen or phosphorus compounds | THE DOW CHEMICAL COMPANY (US) | 1978-10-03 | — | — | US | disclosed |
| US-3948855-A | Process for reacting a phenol with a vicinal epoxy compound in the presence of phosphorus or carbon containing acid, ester or acid ester | THE DOW CHEMICAL COMPANY (US) | 1976-04-06 | — | — | US | disclosed |