Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 4/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1507964 | 0.81 | CYP19A1 (0.46) | HRH3CYP19A1TSHRNOTUM | |
| SCHEMBL9164675 | 0.75 | CYP19A1 (0.68) | SLC6A2SLC6A4CYP19A1 | |
| SCHEMBL9161325 | 0.74 | CYP19A1 (0.41) | IDO1MAOBHRH3CYP19A1TSHR | |
| SCHEMBL9165090 | 0.73 | CYP19A1 (0.38) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL4083138 | 0.73 | ENPP2 (0.47) | IDO1SLC6A2SLC6A4CYP19A1TSHR | |
| SCHEMBL9165167 | 0.72 | SLC6A2 (0.40) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL9161362 | 0.71 | CYP19A1 (0.49) | MAOBCYP19A1ALDH1A1LMNAHTT | |
| SCHEMBL9159543 | 0.70 | CYP19A1 (0.37) | CYP19A1 | |
| SCHEMBL9164614 | 0.70 | GUSB (0.37) | SLC6A4CYP19A1ALDH1A1 | |
| SCHEMBL9167265 | 0.69 | CYP19A1 (0.37) | CYP19A1 |
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 |