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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.42 |
| ▸ | FDPS | P14324 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2583075 | 0.89 | SMPD1 (0.41) | SMPD1FDPSTSHR | |
| SCHEMBL2577447 | 0.89 | SMPD1 (0.41) | SMPD1FDPSTSHR | |
| SCHEMBL2587280 | 0.89 | SMPD1 (0.41) | SMPD1FDPSTSHR | |
| SCHEMBL2587271 | 0.89 | SMPD1 (0.41) | SMPD1FDPSTSHR | |
| SCHEMBL10620537 | 0.89 | SMPD1 (0.41) | SMPD1FDPSTSHR | |
| SCHEMBL2574889 | 0.89 | SMPD1 (0.41) | SMPD1FDPSTSHR | |
| SCHEMBL5403778 | 0.82 | CA1 (0.37) | SMPD1FDPS | |
| Acetic Acid SCHEMBL2204888 | 0.77 | GPR84 (0.50) | SMPD1FDPSTSHR | |
| Acetic Acid SCHEMBL8065006 | 0.77 | GPR84 (0.50) | SMPD1FDPSTSHR | |
| Acetic Acid SCHEMBL29060600 | 0.77 | GPR84 (0.50) | SMPD1FDPSTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5047120-A | Method for manufacture of lightweight frothed mineral wool panel | USG INTERIORS, INC. (US) | 1991-09-10 | — | — | US | disclosed |
| EP-0297132-A4 | METHOD FOR MANUFACTURE OF LIGHTWEIGHT FROTHED MINERAL WOOL PANEL | — | 1991-08-28 | — | — | EP | disclosed |
| EP-0297132-A1 | METHOD FOR MANUFACTURE OF LIGHTWEIGHT FROTHED MINERAL WOOL PANEL | USG INTERIORS, Inc. (US) | 1989-01-04 | — | — | EP | disclosed |
| WO-1988005100-A1 | METHOD FOR MANUFACTURE OF LIGHTWEIGHT FROTHED MINERAL WOOL PANEL | USG INTERIORS, INC. (US) | 1988-07-14 | — | — | WO | disclosed |
| US-4713086-A | Oil-compatible coal/water mixtures | AMAX INC. (US) | 1987-12-15 | — | — | US | disclosed |
| US-4362552-A | OXALIC ACID, AMINES, PEROXIDATION | ETABLISSEMENTS HURET & FILS (BY CHANGE OF NAME NOW HURET & SES FILS) 60 AVENUE FELIX FAURE, NANTERRE (HAUTS DE SEINE), FRANCE, A FRENCH SOCIETY | 1982-12-07 | — | — | US | disclosed |