Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.39 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | PRLHR | P49683 | 2/20 | 0.34 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL1507799 | 0.89 | CYP19A1 (0.46) | CYP19A1CYP3A4 | |
| SCHEMBL9165274 | 0.82 | ALDH1A1 (0.47) | CYP19A1CYP3A4MAOBKDM1ADHODH | |
| SCHEMBL8767389 | 0.82 | CYP19A1 (0.41) | CYP19A1CYP3A4MAOBKDM1A | |
| SCHEMBL9165088 | 0.82 | CA12 (0.47) | CYP19A1 | |
| SCHEMBL9167057 | 0.80 | CYP19A1 (0.47) | CYP19A1VNN1MAOBKDM1A | |
| SCHEMBL9158480 | 0.77 | CYP19A1 (0.37) | CYP19A1KDM1A | |
| SCHEMBL9163386 | 0.76 | AHR (0.38) | CYP19A1TRPM8 | |
| SCHEMBL9163503 | 0.76 | CYP19A1 (0.68) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL6474489 | 0.75 | CYP19A1 (0.44) | KIF11CYP19A1TRPM8CYP3A4CYP3A5 | |
| SCHEMBL1552746 | 0.75 | CYP19A1 (0.38) | CYP19A1MAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5473078-A | Aromatase inhibiting compounds | CIBA-GEIGY CORPORATION (US) | 1995-12-05 | — | — | US | disclosed |
| US-5352795-A | Condensing triazolylmethylbenzonitrile with fluorobenzonitrile under basic conditions using alkali metal alkoxide | CIBA-GEIGY CORPORATION (US) | 1994-10-04 | — | — | US | disclosed |
| US-5112845-A | Inhibitors of estrogen synthesis, veterinary medicine | CIBA-GEIGY CORPORATION (US) | 1992-05-12 | — | — | US | disclosed |
| US-4978672-A | Alpha-heterocyclc substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1990-12-18 | — | — | US | disclosed |