Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.34 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804794 | 0.87 | CYP19A1 (0.37) | KDM4EALDH1A1CYP19A1MEN1KMT2A | |
| SCHEMBL9804805 | 0.85 | CYP19A1 (0.40) | KDM4EALDH1A1CYP19A1MEN1KMT2A | |
| SCHEMBL9804745 | 0.84 | CYP19A1 (0.44) | CYP3A4CYP3A5ALDH1A1NR1H3NR1D1 | |
| SCHEMBL9804838 | 0.82 | VNN1 (0.38) | KDM4EPOLB | |
| SCHEMBL9804916 | 0.79 | CYP19A1 (0.38) | CYP3A4CYP3A5KDM4EALDH1A1CYP19A1 | |
| SCHEMBL9804735 | 0.79 | CYP19A1 (0.42) | CYP19A1MEN1KMT2ATSHRNPSR1 | |
| SCHEMBL9804667 | 0.78 | CYP19A1 (0.40) | CYP3A4KDM4EALDH1A1CYP19A1CYP1A2 | |
| SCHEMBL9804823 | 0.78 | EBP (0.39) | CYP3A4ALDH1A1CYP19A1MEN1KMT2A | |
| SCHEMBL9804963 | 0.76 | CYP19A1 (0.42) | KDM4EALDH1A1CYP19A1MEN1KMT2A | |
| SCHEMBL9804856 | 0.76 | CYP19A1 (0.46) | CYP3A4KDM4EALDH1A1CYP19A1MEN1 |
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-0276920-B1 | (2-CYANO-2-(PHENYL OR NAPHTHYL)-2-SUBSTITUTED-ETHYL) PYRAZINES, PYRIMIDINES AND PYRIDAZINES | ROHM AND HAAS COMPANY (US) | 1991-04-03 | — | — | EP | disclosed |