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 | |
|---|---|---|---|---|
| ▸ | NOS3 known ✓ | P29474 | 2/20 | 0.43 |
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.43 |
| ▸ | NOS2 known ✓ | P35228 | 2/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.53 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.51 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL5043214 | 0.95 | LOXL2 (0.57) | LOXL2SIRT2SLC7A5ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL5043212 | 0.94 | LOXL2 (0.55) | LOXL2SIRT2SLC7A5ALDH1A1KDM4E | |
| SCHEMBL4841796 | 0.86 | LOXL2 (0.54) | LOXL2SIRT2SLC7A5ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL4841789 | 0.85 | LOXL2 (0.53) | LOXL2SIRT2SLC7A5ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL29112535 | 0.84 | SIRT2 (0.53) | LOXL2SIRT2SLC7A5ALDH1A1KDM4E | |
| SCHEMBL2851609 | 0.82 | LOXL2 (0.56) | LOXL2SIRT2ALDH1A1LMNATDP1 | |
| Methyl 3-Phenylpropanoate SCHEMBL17748824 | 0.82 | TDP1 (0.63) | ALDH1A1KDM4ELMNATDP1CA12 | |
| SCHEMBL2806436 | 0.81 | ALDH1A1 (0.53) | SIRT2SLC7A5ALDH1A1KDM4ELMNA | |
| SCHEMBL3627247 | 0.81 | SLC7A5 (0.51) | SIRT2SLC7A5ALDH1A1KDM4ELMNA | |
| SCHEMBL30638390 | 0.81 | ALDH1A1 (0.53) | SIRT2SLC7A5ALDH1A1KDM4ELMNA |
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-1208089-B1 | DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | ALTANA PHARMA AG (DE) | 2004-10-13 | — | — | EP | disclosed |
| US-6673786-B1 | TREATING ALLERGIC OR INFLAMMATORY DISORDERS | ALTANA PHARMA AG (DE) | 2004-01-06 | — | — | US | disclosed |
| CN-1378538-A | Diazocine-diketone derivatives and use as tryptase inhibitor thereof | BYK GULDEN LOMBERG CHEM FAB (DE) | 2002-11-06 | — | — | CN | disclosed |
| EP-1208089-A2 | DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001010848-A2 | DIAZOCIN-DIONE DERIVATIVES AND THEIR USE S TRYPTASE INHIBITORS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2001-02-15 | — | — | WO | disclosed |