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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 SCHEMBL262055 | 0.72 | TSHR (0.42) | TSHRHSD17B10EPHX1EPHX2CYP3A4 | |
| Acetic Acid SCHEMBL11023781 | 0.68 | LMNA (0.45) | TSHRSMN1; SMN2 | |
| 1,2-Dichlorobenzene SCHEMBL29087570 | 0.68 | TSHR (0.53) | TSHRCYP3A4SMN1; SMN2CA2CA4 | |
| Acetone SCHEMBL27803280 | 0.66 | TP53 (0.70) | TSHRHSD17B10EPHX1EPHX2CYP3A4 | |
| SCHEMBL29655535 | 0.64 | TSHR (0.64) | TSHREPHX1EPHX2MEN1KMT2A | |
| SCHEMBL27564863 | 0.64 | TP53 (0.67) | TSHRHSD17B10EPHX1EPHX2CYP3A4 | |
| Acetic Acid SCHEMBL27374496 | 0.64 | TP53 (0.67) | TSHRHSD17B10EPHX1EPHX2CYP3A4 | |
| SCHEMBL313211 | 0.64 | TSHR (0.64) | TSHREPHX1EPHX2MEN1KMT2A | |
| SCHEMBL8478583 | 0.64 | TSHR (0.64) | TSHREPHX1EPHX2MEN1KMT2A | |
| SCHEMBL473532 | 0.64 | LMNA (0.52) | CYP3A4MEN1KMT2ASMN1; SMN2CA9 |
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-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 |