Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | ALOX15B | O15296 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5167680 | 0.82 | TAAR1 (0.53) | IDO1MAPTTAAR1BCHEACHE | |
| SCHEMBL23927282 | 0.80 | IDO1 (0.59) | IDO1MAPTTAAR1BCHEACHE | |
| SCHEMBL5169242 | 0.78 | IDO1 (0.42) | IDO1MAPTTAAR1BCHEACHE | |
| SCHEMBL7531508 | 0.78 | IDO1 (0.49) | IDO1MAPTTAAR1BCHEACHE | |
| SCHEMBL4740642 | 0.76 | CYP1A2 (0.44) | IDO1MAPTL3MBTL1ALDH1A1 | |
| SCHEMBL79100 | 0.75 | TAAR1 (0.57) | IDO1TAAR1DAOSIRT2PTPN1 | |
| SCHEMBL6042549 | 0.75 | CYP2C19 (0.52) | IDO1MAPTCA2ALDH1A1 | |
| SCHEMBL5781780 | 0.73 | TAAR1 (0.55) | IDO1TAAR1SIRT2PTPN1GSK3B | |
| SCHEMBL13319587 | 0.73 | MAPT (0.53) | IDO1MAPTTAAR1BCHEACHE | |
| SCHEMBL25930307 | 0.73 | IDO1 (0.52) | IDO1MAPTTAAR1BCHEACHE |
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-1187846-B1 | 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS | BAYER SCHERING PHARMA AG (DE) | 2007-04-18 | — | — | EP | disclosed |
| US-6790842-B1 | 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β LONG-CHAIN SUBSTITUTED ESTATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-09-14 | — | — | US | disclosed |
| EP-1187846-A2 | 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA LONG-CHAIN SUBSTITUTED ESTRATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS | Schering Aktiengesellschaft (DE) | 2002-03-20 | — | — | EP | disclosed |
| WO-2001000652-A2 | 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, METHOD FOR THEIR PRODUCTION, PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β LONG-CHAIN SUBSTITUTED ESTRATRIENES, AND THEIR USE FOR PRODUCING MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2001-01-04 | — | — | WO | disclosed |