Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.37 |
| ▸ | EDNRB | P24530 | 7/20 | 0.37 |
| ▸ | EDNRA | P25101 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 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 | |
|---|---|---|---|---|
| SCHEMBL6293272 | 0.76 | EDNRB (0.40) | CYP19A1MAPK1NPSR1SCD5EDNRB | |
| SCHEMBL6288916 | 0.76 | TSHR (0.41) | TSHRCYP19A1MAPK1NPSR1SCD5 | |
| SCHEMBL6289705 | 0.66 | CYP19A1 (0.49) | TSHRCYP19A1MAPK1NPSR1SCD5 | |
| SCHEMBL6289234 | 0.62 | RIPK2 (0.44) | TSHRMAPK1EDNRBEDNRAALDH1A1 | |
| SCHEMBL7216623 | 0.61 | CYP19A1 (0.42) | CYP19A1MAPK1NPSR1SCD5EDNRB | |
| SCHEMBL6289617 | 0.61 | CYP1A2 (0.50) | CYP19A1MAPK1NPSR1SCD5EDNRB | |
| SCHEMBL6289186 | 0.60 | LMNA (0.50) | CYP19A1MAPK1NPSR1SCD5EDNRB | |
| SCHEMBL6289188 | 0.60 | LMNA (0.50) | CYP19A1MAPK1NPSR1SCD5EDNRB | |
| SCHEMBL20610727 | 0.60 | CYP3A4 (0.75) | TSHREDNRAALDH1A1HPGDTP53 | |
| SCHEMBL30133684 | 0.60 | CAPN1 (0.50) | ALDH1A1GAAITGB1ITGA4ITGB7 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1072597-A1 | Pyrazoles and their use as endothelin antagonists | Pfizer Limited (GB) | 2001-01-31 | — | — | EP | disclosed |