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 | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11025429 | 0.84 | SLC6A3 (0.39) | SLC6A3CNR1CASRCNR2LMNA | |
| Acetic Acid SCHEMBL8837572 | 0.79 | MTNR1A (0.47) | CNR1CASRCNR2 | |
| SCHEMBL11023601 | 0.77 | SLC6A3 (0.45) | SLC6A3CNR2LMNACYP2C9TSHR | |
| Acetic Acid SCHEMBL11025722 | 0.73 | BRD4 (0.52) | SLC6A3CNR1BRD4GABBR2GABBR1 | |
| SCHEMBL11024810 | 0.72 | SLC6A3 (0.43) | SLC6A3CNR1BRD4CASRCNR2 | |
| SCHEMBL3711770 | 0.70 | SLC6A3 (0.51) | SLC6A3CNR1 | |
| SCHEMBL7326087 | 0.70 | GABBR2 (0.50) | CNR1BRD4CASRCNR2GABBR2 | |
| SCHEMBL7333341 | 0.69 | CNR1 (0.41) | SLC6A3CNR1LMNACYP2C9TSHR | |
| SCHEMBL7633113 | 0.69 | CNR1 (0.41) | SLC6A3CNR1CASRCNR2LMNA | |
| 2-Ethylhexanoic Acid SCHEMBL8760589 | 0.68 | CA2 (0.55) | LMNATSHRMEN1KMT2APOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0049643-B1 | IMPROVEMENTS IN OR RELATING TO BIS(SUBSTITUTED PHENYL) ALKYLTIN COMPOUNDS | M & T Chemicals, Inc. (US) | 1985-07-17 | — | — | EP | disclosed |
| EP-0049643-A2 | Improvements in or relating to bis(substituted phenyl) alkyltin compounds | M & T Chemicals, Inc. (US) | 1982-04-14 | — | — | EP | disclosed |
| US-4324798-A | Fungicidal bis(substituted phenyl)alkyltin compounds | M&T CHEMICALS INC. (US) | 1982-04-13 | — | — | US | disclosed |