Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | TYMP | P19971 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | BRS3 | P32247 | 1/20 | 0.41 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | EP300 | Q09472 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7505072 | 0.84 | HRH3 (0.43) | HRH3LOXL2CYP2A6TYMPCYP19A1 | |
| SCHEMBL6688212 | 0.80 | TYMP (0.45) | HRH3LOXL2CYP2A6TYMPCYP19A1 | |
| SCHEMBL7505077 | 0.80 | LOXL2 (0.49) | HRH3LOXL2CYP2A6TYMPCYP19A1 | |
| SCHEMBL8498703 | 0.80 | BRS3 (0.49) | HRH3LOXL2CYP2A6TYMPCYP19A1 | |
| SCHEMBL7468902 | 0.80 | HRH3 (0.48) | HRH3LOXL2CYP2A6TYMPCYP19A1 | |
| SCHEMBL10588302 | 0.80 | BRS3 (0.49) | HRH3LOXL2CYP2A6TYMPCYP19A1 | |
| SCHEMBL7129739 | 0.80 | BRS3 (0.52) | HRH3LOXL2CYP2A6TYMPCYP19A1 | |
| SCHEMBL7843395 | 0.78 | HRH3 (0.47) | HRH3LOXL2TYMPBRS3SCN10A | |
| SCHEMBL8521874 | 0.78 | HRH3 (0.43) | HRH3LOXL2CYP2A6TYMPCYP19A1 | |
| Hydrochloric Acid SCHEMBL6949148 | 0.78 | HRH3 (0.47) | HRH3LOXL2CYP2A6TYMPCYP19A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0236940-B3 | Alpha-heterocycle substituted tolunitriles | NOVARTIS AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| 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 |
| EP-0236940-B1 | ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES | CIBA-GEIGY AG (CH) | 1993-09-22 | — | — | EP | disclosed |
| US-5112845-A | Inhibitors of estrogen synthesis, veterinary medicine | CIBA-GEIGY CORPORATION (US) | 1992-05-12 | — | — | US | disclosed |
| US-5071861-A | Aromatase enzyme inhibitor; antiestrogens | CIBA-GEIGY CORPORATION (US) | 1991-12-10 | — | — | US | disclosed |
| US-4978672-A | Alpha-heterocyclc substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1990-12-18 | — | — | US | disclosed |
| US-4937250-A | AROMATASE ENZYME INHIBITORS | CIBA-GEIGY CORPORATION (US) | 1990-06-26 | — | — | US | disclosed |
| US-4749713-A | Alpha-heterocycle substituted tolunitriles | CIBA-GEIGY CORPORATION (US) | 1988-06-07 | — | — | US | disclosed |
| EP-0236940-A2 | Alpha-heterocycle substituted tolunitriles | CIBA-GEIGY AG (CH) | 1987-09-16 | — | — | EP | disclosed |