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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL11782185 | 0.85 | — | — | |
| SCHEMBL906355 | 0.85 | — | — | |
| SCHEMBL21150925 | 0.71 | — | — | |
| Acetic Acid SCHEMBL28451525 | 0.69 | SMN1; SMN2 (0.41) | TSHRSMN1; SMN2MAPTFAAH | |
| Acetic Acid SCHEMBL968509 | 0.69 | SMN1; SMN2 (0.41) | TSHRSMN1; SMN2MAPTFAAH | |
| Acetic Acid SCHEMBL28514952 | 0.68 | SMN1; SMN2 (0.39) | TSHRSMN1; SMN2MAPTFAAH | |
| Acetic Acid SCHEMBL11324664 | 0.68 | — | — | |
| Acetic Acid SCHEMBL5316671 | 0.68 | — | — | |
| Acetic Acid SCHEMBL4565938 | 0.66 | — | — | |
| SCHEMBL821284 | 0.65 | TSHR (0.34) | TSHRSMN1; SMN2MAPTFAAH |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2000561-B1 | Organometallic compounds | ROHM & HAAS ELECT MAT (US) | 2013-12-11 | — | — | EP | disclosed |
| US-8012536-B2 | Method of forming metal-containing layer using organometallic compounds | ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) | 2011-09-06 | — | — | US | disclosed |
| US-20080305260-A1 | Organometallic compounds | ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) | 2008-12-11 | — | — | US | disclosed |
| EP-2000561-A1 | Organometallic compounds | Rohm and Haas Electronic Materials, L.L.C. (US) | 2008-12-10 | — | — | EP | disclosed |