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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LPAR6 | P43657 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | LPAR4 | Q99677 | 1/20 | 0.33 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.33 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.33 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19770356 | 0.88 | TDP1 (0.39) | ALDH1A1TDP1TSHRLPAR6LPAR1 | |
| SCHEMBL27625759 | 0.84 | TDP1 (0.41) | TDP1TSHRLPAR6LPAR1LPAR4 | |
| SCHEMBL31387066 | 0.84 | TDP1 (0.41) | TDP1TSHRLPAR6LPAR1LPAR4 | |
| Acetic Acid SCHEMBL7090485 | 0.82 | TDP1 (0.35) | ALDH1A1TDP1TSHR | |
| SCHEMBL8735437 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TDP1ATMTSHR | |
| SCHEMBL15135495 | 0.81 | ALDH1A1 (0.42) | ALDH1A1TDP1PLA2G4BATMHCAR2 | |
| SCHEMBL27833047 | 0.80 | PRKCA (0.37) | ALDH1A1TDP1TSHRLPAR6LPAR1 | |
| SCHEMBL28534015 | 0.80 | PRKCA (0.37) | ALDH1A1TDP1TSHRLPAR6LPAR1 | |
| SCHEMBL27554399 | 0.79 | DNM1 (0.47) | LPAR6LPAR1LPAR4LPAR5LPAR2 | |
| SCHEMBL1471535 | 0.79 | ALDH1A1 (0.41) | ALDH1A1TDP1ATMTSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105505084-A | Addition-type silicon rubber primer and preparation method thereof | BYD CO LTD | 2016-04-20 | — | — | CN | disclosed |