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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL723920 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL10494678 | 0.89 | — | — | |
| Acetic Acid SCHEMBL28173566 | 0.81 | ALDH1A1 (0.45) | TSHRALDH1A1SMN1; SMN2MAPTKDM4E | |
| Butanedione SCHEMBL27637216 | 0.76 | ALDH1A1 (0.48) | TSHRALDH1A1SMN1; SMN2MAPTKDM4E | |
| Acetic Acid SCHEMBL4565938 | 0.75 | — | — | |
| SCHEMBL126980 | 0.74 | — | — | |
| SCHEMBL29510 | 0.74 | — | — | |
| Acetic Acid SCHEMBL968509 | 0.74 | SMN1; SMN2 (0.41) | TSHRALDH1A1SMN1; SMN2MAPTKDM4E | |
| Acetic Acid SCHEMBL28451525 | 0.74 | SMN1; SMN2 (0.41) | TSHRALDH1A1SMN1; SMN2MAPTKDM4E | |
| Dimethylamine SCHEMBL3468998 | 0.73 | ALDH1A1 (0.50) | TSHRALDH1A1SMN1; SMN2MAPTKDM4E |
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-6569822-B1 | Concentrate of acetates of N-coco-, N-oleyl- or N-tallow-1,3-diaminopropanes, alcohol, water, and a dissolving agent such as ethylene glycol, that passes a simple dilution test; use lubricating bottles on conveyor lines | ATOFINA (FR) | 2003-05-27 | — | — | US | claimed |
| US-6569822-B1 | Concentrate of acetates of N-coco-, N-oleyl- or N-tallow-1,3-diaminopropanes, alcohol, water, and a dissolving agent such as ethylene glycol, that passes a simple dilution test; use lubricating bottles on conveyor lines | ATOFINA (FR) | 2003-05-27 | — | — | US | disclosed |