Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | GUSB | P08236 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL1552746 | 0.86 | CYP19A1 (0.38) | TOP2ATOP2BCYP19A1OPRD1MGAM | |
| SCHEMBL1507799 | 0.83 | CYP19A1 (0.46) | CYP19A1CYP11B1OPRD1CA12CA2 | |
| SCHEMBL9165088 | 0.82 | CA12 (0.47) | CYP19A1CA12CA2CA3CA6 | |
| SCHEMBL8767389 | 0.77 | CYP19A1 (0.41) | CYP19A1CYP11B1MAOB | |
| SCHEMBL9165274 | 0.77 | ALDH1A1 (0.47) | CYP19A1MAOB | |
| SCHEMBL9167057 | 0.75 | CYP19A1 (0.47) | CYP19A1GAAMAOB | |
| SCHEMBL9163503 | 0.74 | CYP19A1 (0.68) | CYP19A1CYP11B1 | |
| SCHEMBL8110564 | 0.74 | S1PR1 (0.34) | CYP19A1GAA | |
| SCHEMBL9163386 | 0.74 | AHR (0.38) | CYP19A1 | |
| SCHEMBL9165314 | 0.74 | KDM4E (0.39) | — |
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 |