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 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MAOB | P27338 | 2/20 | 0.55 |
| ▸ | MAOA | P21397 | 1/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
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 SCHEMBL7469903 | 0.97 | TSHR (0.57) | TSHRALDH1A1MAOBMAOATRPV1 | |
| Methyl Alcohol SCHEMBL7363157 | 0.91 | TSHR (0.62) | TSHRALDH1A1MAOBMAOATRPV1 | |
| SCHEMBL94846 | 0.91 | TSHR (0.67) | TSHRALDH1A1TRPV1LMNASMN1; SMN2 | |
| SCHEMBL30036663 | 0.91 | TSHR (0.67) | TSHRALDH1A1TRPV1LMNASMN1; SMN2 | |
| Methane SCHEMBL27717284 | 0.90 | TSHR (0.65) | TSHRALDH1A1MAOBMAOATRPV1 | |
| SCHEMBL10490768 | 0.90 | TSHR (0.65) | TSHRALDH1A1MAOBMAOATRPV1 | |
| Iodide SCHEMBL4931657 | 0.88 | TSHR (0.62) | TSHRALDH1A1MAOBMAOATRPV1 | |
| SCHEMBL28275071 | 0.86 | TSHR (0.61) | TSHRALDH1A1MAOBMAOATRPV1 | |
| SCHEMBL20589111 | 0.85 | TSHR (0.60) | TSHRALDH1A1MAOBMAOATRPV1 | |
| Chloroform SCHEMBL28671384 | 0.85 | TSHR (0.64) | TSHRALDH1A1TRPV1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0900272-A2 | TUMOR NECROSIS FACTOR ALPHA CONVERTASE | GLAXO GROUP LIMITED (GB) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997035538-A2 | TUMOR NECROSIS FACTOR ALPHA CONVERTASE | GLAXO GROUP LIMITED (GB) | 1997-10-02 | — | — | WO | disclosed |