Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | EEF2K | O00418 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9122486 | 0.81 | CYP2C9 (0.57) | CA1CA2CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL12620797 | 0.78 | CA1 (0.55) | CA1CA2CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL1312596 | 0.78 | CYP3A4 (0.32) | CYP3A4TRPA1 | |
| SCHEMBL2807287 | 0.74 | CA1 (0.50) | CA1CA2CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL197918 | 0.74 | TTR (0.58) | CA1CA2CYP2C9CYP3A4CYP1A2 | |
| SCHEMBL132438 | 0.72 | KDM4E (0.42) | CA1CA2CYP2C9CYP3A4KDM4E | |
| SCHEMBL7664968 | 0.70 | ALDH1A1 (0.40) | CYP3A4ALDH1A1ACHEHPGD | |
| SCHEMBL9712541 | 0.70 | PGK1 (0.30) | — | |
| SCHEMBL356245 | 0.69 | — | — | |
| SCHEMBL1145902 | 0.69 | ALDH1A1 (0.40) | CA1CYP3A4KDM4EALDH1A1ACHE |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6914140-B1 | Asymmetric synthesis process | HOFFMANN-LA ROCHE INC. (US) | 2005-07-05 | — | — | US | disclosed |
| EP-0869126-B1 | Dithiolan derivatives, their preparation and their therapeutic effect | SANKYO CO (JP) | 2002-07-31 | — | — | EP | disclosed |
| US-6380179-B1 | ADMINISTERING N-(1-METHYL-1-(4-METHOXYPHENYL)ETHYL)-3-OXO-4-AZA-5ALPHA-ANDRO ST-1-ENE-17BETA-CARBAXAMIDE | SANKYO COMPANY, LIMITED (JP) | 2002-04-30 | — | — | US | disclosed |
| US-6313164-B1 | TO ENHANCE THE ACTIVITY OF GLUTATHIONE RECLUCTASE; FOR THERAPY AND PROPHYLAXIS OF CARTARACTS | SANKYO COMPANY, LIMITED (JP) | 2001-11-06 | — | — | US | disclosed |
| EP-1070710-A2 | Dithiolan derivatives, their preparation and their therapeutic effect | Sankyo Company Limited (JP) | 2001-01-24 | — | — | EP | disclosed |
| US-6093722-A | ADMINISTERING AN ANTICANCER DRUG N-3-OXO-4-AZA-5 ALPHA-ANDROST-1-ENE-17 BETA-CARBOXAMIDE, A TESTOSTERONE 5-ALPHA REDUCTASE ENZYME INHIBITOR | SANKYO COMPANY, LIMITED (JP) | 2000-07-25 | — | — | US | disclosed |
| US-6069245-A | PRODUCING A 3-BENZOYLAMINO-4-BENZOYLOXYHEXAHYDROAZEPINE BY THE CATALYTIC HYDROGENATION OF THE 4-OXO-AMINE SALT DERIVATIVE; PROTECTING THE RING NITROGEN; FORMING A FUSED RING; HYDROLYSIS; ACYLATION AND DEPROTECTING | HOFFMANN-LA ROCHE INC. (US) | 2000-05-30 | — | — | US | disclosed |
| US-6013663-A | CATARACT THERAPY OR PREVENTION | SANKYO COMPANY, LIMITED (JP) | 2000-01-11 | — | — | US | disclosed |
| US-5902882-A | ASYMMETRICALLY HYDROGENATING AN AZEPINE COMPOUND IN THE PRESENCE OF A RUTHENIUM-DIPHOSPHINE COMPLEX CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1999-05-11 | — | — | US | disclosed |
| CN-1208035-A | Dithiolan derivatives, their preparation and their therapeutic effect | SANKYO CO (JP) | 1999-02-17 | — | — | CN | disclosed |
| EP-0869126-A1 | Dithiolan derivatives, their preparation and their therapeutic effect | Sankyo Company Limited (JP) | 1998-10-07 | — | — | EP | disclosed |
| EP-0802190-A1 | Process and intermediates for preparing azepines | F. HOFFMANN-LA ROCHE AG (CH) | 1997-10-22 | — | — | EP | disclosed |