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 | |
|---|---|---|---|---|
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.58 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.58 |
| ▸ | CACNA1S | Q13698 | 12/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.58 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.58 |
| ▸ | HRH2 | P25021 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | SCN1A | P35498 | 1/20 | 0.58 |
| ▸ | SCN4A | P35499 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.58 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.58 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.58 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7429629 | 0.96 | CACNA1S (0.68) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7429614 | 0.96 | CACNA1S (0.68) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7429621 | 0.96 | CACNA1S (0.68) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL10914928 | 0.95 | CACNA1S (0.67) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL11091156 | 0.95 | CACNA1S (0.67) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL10831016 | 0.95 | CACNA1S (0.67) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7293674 | 0.89 | CACNA1S (0.66) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7295775 | 0.89 | CACNA1S (0.66) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL9503765 | 0.89 | CACNA1S (0.60) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL10831026 | 0.88 | CACNA1S (0.57) | CACNA1SCYP3A4TSHRABCB11LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0433683-A2 | Use of benzothiazepines as potentiators of anti-cancer drugs | MARION MERRELL DOW INC. (US) | 1991-06-26 | — | — | EP | claimed |