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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.71 |
| ▸ | BAD | Q92934 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | DRD5 | P21918 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 4/20 | 0.43 |
| ▸ | RXRB | P28702 | 4/20 | 0.43 |
| ▸ | RXRG | P48443 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29442708 | 0.88 | BCL2L1 (0.91) | BCL2L1BADDRD2DRD3DRD1 | |
| SCHEMBL154077 | 0.88 | BCL2L1 (0.91) | BCL2L1BADDRD2DRD3DRD1 | |
| SCHEMBL150894 | 0.84 | BCL2L1 (1.00) | BCL2L1BADALDH1A1DRD2DRD3 | |
| SCHEMBL29352072 | 0.84 | BCL2L1 (1.00) | BCL2L1BADALDH1A1DRD2DRD3 | |
| SCHEMBL150001 | 0.82 | BCL2L1 (0.95) | BCL2L1BADALDH1A1DRD2DRD3 | |
| Ammonia Solution, Strong SCHEMBL27679278 | 0.82 | BCL2L1 (0.95) | BCL2L1BADALDH1A1DRD2DRD3 | |
| SCHEMBL152396 | 0.82 | BCL2L1 (0.95) | BCL2L1BADALDH1A1DRD2DRD3 | |
| SCHEMBL27700160 | 0.82 | BCL2L1 (0.95) | BCL2L1BADALDH1A1DRD2DRD3 | |
| Ethyl Acetate SCHEMBL27490737 | 0.79 | BCL2L1 (0.62) | BCL2L1BADALDH1A1RXRARXRB | |
| Acetic Acid SCHEMBL817975 | 0.78 | TSHR (0.57) | ALDH1A1MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0714396-B1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2003-12-10 | — | — | EP | disclosed |
| US-6100268-A | MIGRAINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2000-08-08 | — | — | US | disclosed |
| US-5824682-A | Vasoconstrictive dihydrobenzopyran derivatives | JANSSEN PHARMACEUTICA, N.V. (BE) | 1998-10-20 | — | — | US | disclosed |
| EP-0714396-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995005383-A1 | VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1995-02-23 | — | — | WO | disclosed |