Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 19/20 | 0.66 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9027055 | 0.85 | CYP19A1 (0.66) | CYP19A1CYP11B1KMT2A | |
| SCHEMBL2347304 | 0.81 | CYP19A1 (1.00) | CYP19A1CYP11B1CYP3A4TSHRCYP11B2 | |
| SCHEMBL14211403 | 0.78 | CYP19A1 (0.85) | CYP19A1CYP11B1CYP3A4TSHRCYP11B2 | |
| Vorozole SCHEMBL19127035 | 0.77 | CYP19A1 (0.84) | CYP19A1CYP11B1CYP3A4TSHRCYP11B2 | |
| SCHEMBL14211391 | 0.76 | CYP19A1 (0.88) | CYP19A1CYP11B1CYP3A4TSHRCYP11B2 | |
| SCHEMBL12501113 | 0.75 | CYP19A1 (0.85) | CYP19A1CYP11B1CYP3A4TSHRCYP11B2 | |
| SCHEMBL12501128 | 0.74 | CYP19A1 (0.78) | CYP19A1CYP11B1CYP3A4TSHRCYP11B2 | |
| SCHEMBL4245748 | 0.74 | SLC9A1 (0.48) | CYP19A1CYP11B1CYP11B2KMT2A | |
| SCHEMBL12495528 | 0.72 | CYP19A1 (0.78) | CYP19A1CYP11B1CYP3A4TSHRCYP11B2 | |
| SCHEMBL12501115 | 0.71 | CYP19A1 (0.76) | CYP19A1CYP11B1CYP3A4TSHRCYP11B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0408509-B1 | Substituted benzonitriles | CIBA GEIGY AG (CH) | 1996-03-06 | — | — | EP | disclosed |
| US-5073574-A | TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF | CIBA-GEIGY CORPORATION (US) | 1991-12-17 | — | — | US | disclosed |
| EP-0408509-A2 | Substituted benzonitriles | CIBA-GEIGY AG (CH) | 1991-01-16 | — | — | EP | disclosed |