Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5514361 | 0.88 | ESR1 (0.40) | ESR1ESR2KDM4EALDH1A1TYR | |
| SCHEMBL5508381 | 0.84 | ESR1 (0.38) | ESR1ESR2KDM4EALDH1A1TYR | |
| SCHEMBL13863671 | 0.84 | HSD17B3 (0.50) | ESR1ESR2KDM4EALDH1A1LMNA | |
| SCHEMBL5517850 | 0.81 | ESR1 (0.44) | ESR1ESR2KDM4EALDH1A1TYR | |
| SCHEMBL5516031 | 0.81 | ESR1 (0.43) | ESR1ESR2KDM4EALDH1A1TYR | |
| SCHEMBL31021580 | 0.80 | CA12 (0.42) | ESR1ESR2ALDH1A1TYRSMN1; SMN2 | |
| SCHEMBL30655671 | 0.78 | ESR1 (0.46) | ESR1ESR2KDM4EALDH1A1LMNA | |
| SCHEMBL5514229 | 0.78 | AR (0.35) | ESR1ESR2KDM4EALDH1A1TYR | |
| SCHEMBL5514088 | 0.77 | ESR1 (0.49) | ESR1ESR2CYP17A1CYP3A4CYP11B1 | |
| SCHEMBL17131781 | 0.74 | HSD17B10 (0.52) | ESR1ESR2KDM4EALDH1A1TYR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261573-A2 | ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS | 1428388 Ontario Limited (CA) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001007386-A2 | ASYMMETRIC LIGANDS HAVING USE AS CATALYSTS | 1428388 ONTARIO LIMITED (CA) | 2001-02-01 | — | — | WO | disclosed |