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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 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 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL11245272 | 0.79 | TSHR (0.48) | BRD4TSHRHDAC4HDAC7HDAC5 | |
| Water SCHEMBL11024684 | 0.79 | TSHR (0.48) | BRD4TSHRHDAC4HDAC7HDAC5 | |
| Acetic Acid SCHEMBL11025535 | 0.79 | CYP1A2 (0.52) | CA1CA2TSHRCES2CES1 | |
| Acetic Acid SCHEMBL11023781 | 0.79 | LMNA (0.45) | TSHRSLC6A4SLC6A3LMNA | |
| Acetic Acid SCHEMBL11024809 | 0.73 | SLC6A3 (0.45) | BRD4TSHRALOX15APEX1SLC6A3 | |
| SCHEMBL10882007 | 0.71 | BRD4 (0.63) | BRD4TSHRALOX15HDAC4HDAC7 | |
| Potassium Ion SCHEMBL10803880 | 0.71 | BRD4 (0.47) | BRD4CA1CA2TSHRALOX15 | |
| SCHEMBL15695554 | 0.70 | BRD4 (0.61) | BRD4TSHRHDAC4HDAC7HDAC5 | |
| SCHEMBL13170113 | 0.70 | BRD4 (0.61) | BRD4TSHRALOX15APEX1HDAC4 | |
| SCHEMBL28240348 | 0.70 | BRD4 (0.61) | BRD4TSHRHDAC4HDAC7HDAC5 |
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 |