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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.30 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL203211 | 0.83 | TSHR (0.44) | TSHRNFKB1KCNA1 | |
| Tetrylammonium SCHEMBL16415823 | 0.81 | CA1 (0.40) | CA1TSHRNFKB1KCNA1CES1 | |
| Tetrylammonium SCHEMBL3361488 | 0.80 | CA1 (0.50) | CA1TSHRNFKB1KCNA1CYP3A4 | |
| Tetrylammonium SCHEMBL3929499 | 0.80 | CA1 (0.50) | CA1TSHRNFKB1KCNA1CYP3A4 | |
| Tetrylammonium SCHEMBL9312731 | 0.80 | CA1 (0.50) | CA1TSHRNFKB1KCNA1CYP3A4 | |
| Tetrylammonium SCHEMBL1870055 | 0.80 | CA1 (0.50) | CA1TSHRNFKB1KCNA1CYP3A4 | |
| Tetrylammonium SCHEMBL27456144 | 0.78 | CA1 (0.47) | CA1TSHRNFKB1KCNA1CYP3A4 | |
| Tetrylammonium SCHEMBL49874 | 0.77 | CA1 (0.53) | CA1TSHRNFKB1KCNA1CYP3A4 | |
| Tetrylammonium SCHEMBL30349943 | 0.77 | CA1 (0.53) | CA1TSHRNFKB1KCNA1CYP3A4 | |
| Tetrylammonium SCHEMBL3242574 | 0.75 | CA1 (0.50) | CA1TSHRNFKB1KCNA1CYP3A4 |
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-0181634-A2 | Synthetic gene for human lysozyme | Takeda Chemical Industries, Ltd. (JP) | 1986-05-21 | — | — | EP | disclosed |