Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LIN28A | Q9H9Z2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10737445 | 0.95 | ALDH1A1 (0.50) | ALDH1A1CYP1A2TSHRCHRM2SMN1; SMN2 | |
| SCHEMBL22922233 | 0.87 | ALDH1A1 (0.53) | ALDH1A1CYP1A2TSHRCHRM2SMN1; SMN2 | |
| SCHEMBL31058796 | 0.86 | ALDH1A1 (0.59) | ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1 | |
| SCHEMBL9355545 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP1A2TSHRCHRM2SMN1; SMN2 | |
| SCHEMBL30732408 | 0.84 | ALDH1A1 (0.58) | ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1 | |
| SCHEMBL12055882 | 0.84 | ALDH1A1 (0.58) | ALDH1A1CYP1A2TSHRSMN1; SMN2NPC1 | |
| SCHEMBL8413014 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CYP1A2TSHRCHRM2SMN1; SMN2 | |
| SCHEMBL422540 | 0.84 | ALDH1A1 (0.54) | ALDH1A1CYP1A2TSHRCHRM2SMN1; SMN2 | |
| SCHEMBL5169553 | 0.84 | HRH1 (0.56) | ALDH1A1CYP1A2TSHRCHRM2SMN1; SMN2 | |
| SCHEMBL9595524 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CYP1A2TSHRCHRM2SMN1; SMN2 |
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 5 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 |
| US-4272534-A | 2-(Pyrid-2-yl)tetrahydrothiophene derivatives | RHONE-POULENC INDUSTRIES (FR) | 1981-06-09 | — | — | US | disclosed |