Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 11/20 | 0.46 |
| ▸ | ESR1 | P03372 | 4/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.39 |
| ▸ | UPP1 | Q16831 | 1/20 | 0.38 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31621318 | 0.84 | AR (0.50) | CYP3A4MAPK1ARHTR2AHTR2C | |
| SCHEMBL10733139 | 0.84 | AR (0.50) | CYP3A4MAPK1ARHTR2AHTR2C | |
| SCHEMBL8996023 | 0.84 | CXCR1 (0.43) | CYP3A4MAPK1ARESR1ESR2 | |
| SCHEMBL1930255 | 0.80 | AR (0.53) | AR | |
| SCHEMBL2518863 | 0.79 | TSHR (0.50) | CYP3A4MAPK1ARESR1ESR2 | |
| SCHEMBL24636778 | 0.76 | AR (0.43) | CYP3A4MAPK1ARESR1ESR2 | |
| SCHEMBL68064 | 0.76 | CYP3A4 (0.75) | CYP3A4MAPK1ESR1ESR2 | |
| SCHEMBL7743436 | 0.76 | CYP3A4 (0.75) | CYP3A4MAPK1ESR1ESR2 | |
| SCHEMBL31392414 | 0.76 | CYP3A4 (0.75) | CYP3A4MAPK1ESR1ESR2 | |
| SCHEMBL2869595 | 0.75 | TRPV4 (0.46) | CYP3A4MAPK1ARHTR2AHTR2C |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006009937-A2 | NOVEL ESTERS AS USEFUL BROAD SPECTRUM HERBICIDAL COMPOUNDS | CORET JOEL MARCEL (US) | 2006-01-26 | — | — | WO | claimed |
| CN-110997838-B | Silicone-polyether copolymers, sealants including silicone-polyether copolymers, and related methods | 美国陶氏有机硅公司 | 2021-10-01 | — | — | CN | disclosed |
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |
| US-5643929-A | TREATMENT OF PICORNAVIRAL OR RHINOVIRUS AND CHEMICAL INTERMEDIATES | SANOFI WINTHROP, INC. (US) | 1997-07-01 | — | — | US | disclosed |
| US-4348401-A | ANTIHISTAMINIC, ANTIEDEMIC, ANTIPHLOGISTIC | BOEHRINGER MANNHEIM GMBH (DE) | 1982-09-07 | — | — | US | disclosed |