Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.39 |
| ▸ | CTSC | P53634 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | VNN1 | O95497 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.33 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804733 | 0.89 | CYP19A1 (0.47) | CYP19A1 | |
| SCHEMBL9804866 | 0.86 | CYP19A1 (0.45) | CYP19A1ALDH1A1 | |
| SCHEMBL9804735 | 0.85 | CYP19A1 (0.42) | CYP19A1CTSCMAPTHTTMEN1 | |
| SCHEMBL9804822 | 0.85 | CYP19A1 (0.42) | CYP19A1ALDH1A1 | |
| SCHEMBL9804762 | 0.82 | CTSC (0.39) | CYP19A1CTSCMEN1KMT2AVNN1 | |
| SCHEMBL9804745 | 0.79 | CYP19A1 (0.44) | CYP19A1CNR1ALDH1A1 | |
| SCHEMBL9804836 | 0.77 | EBP (0.41) | CYP19A1ALDH1A1HPGD | |
| SCHEMBL9804729 | 0.76 | CYP19A1 (0.52) | CYP19A1 | |
| SCHEMBL10371112 | 0.75 | CYP3A4 (0.46) | CYP19A1MAPT | |
| SCHEMBL10371526 | 0.75 | CYP19A1 (0.46) | CYP19A1CTSCHTTNPSR1VNN1 |
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-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 |
| EP-0276920-A1 | (2-Cyano-2-(phenyl or naphthyl)-2-substituted-ethyl) pyrazines, pyrimidines and pyridazines | ROHM AND HAAS COMPANY (US) | 1988-08-03 | — | — | EP | disclosed |