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 | 1/20 | 0.53 |
| ▸ | NOS1 known ✓ | P29475 | 1/20 | 0.53 |
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.53 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.44 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 5/20 | 0.38 |
| ▸ | PPARD | Q03181 | 5/20 | 0.38 |
| ▸ | PPARA | Q07869 | 5/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TLR2 | O60603 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10879824 | 0.90 | SPHK2 (0.48) | NOS3NOS1NOS2EPHX2SPHK2 | |
| SCHEMBL2905603 | 0.90 | SPHK2 (0.48) | NOS3NOS1NOS2EPHX2SPHK2 | |
| SCHEMBL4099889 | 0.90 | SPHK2 (0.48) | NOS3NOS1NOS2EPHX2SPHK2 | |
| SCHEMBL4093705 | 0.90 | SPHK2 (0.48) | NOS3NOS1NOS2EPHX2SPHK2 | |
| SCHEMBL4100096 | 0.90 | SPHK2 (0.48) | NOS3NOS1NOS2EPHX2SPHK2 | |
| SCHEMBL4104188 | 0.88 | NOS3 (0.48) | NOS3NOS1NOS2EPHX2SPHK2 | |
| Dymanthine SCHEMBL27480304 | 0.83 | DNM1 (0.58) | SPHK2SPHK1DNM1KDM5AKDM4C | |
| Acetic Acid SCHEMBL28326919 | 0.83 | DNM1 (0.58) | SPHK2SPHK1DNM1KDM5AKDM4C | |
| Acetic Acid SCHEMBL5829098 | 0.83 | CA12 (0.42) | SPHK2SPHK1PPARGPPARDPPARA | |
| SCHEMBL4094877 | 0.82 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1661586-B1 | Disinfecting substrate | BODE CHEMIE GMBH (DE) | 2010-08-04 | — | — | EP | claimed |
| US-4357476-A | Nonylamines | CIBA GEIGY CORPORATION, N.Y. (US) | 1982-11-02 | — | — | US | disclosed |
| US-4336270-A | BACTERICIDES, FUNGICIDES | CIBA-GEIGY CORPORATION (US) | 1982-06-22 | — | — | US | disclosed |
| US-4139560-A | Nonylamines | CIBA GEIGY CORPORATION (US) | 1979-02-13 | — | — | US | disclosed |
| US-3991124-A | FOR CONTROLLING MICROORGANISMS AND HELMINTHS | CIBA-GEIGY CORPORATION (US) | 1976-11-09 | — | — | US | disclosed |
| US-3956402-A | MICROBIOCIDES | CIBA-GEIGY CORPORATION (US) | 1976-05-11 | — | — | US | disclosed |