Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL692734 | 0.82 | LMNA (0.47) | MAPTLMNAHTTSIRT2 | |
| SCHEMBL1508030 | 0.79 | POLB (0.50) | MAPTLMNAALDH1A1GAAHTT | |
| SCHEMBL1507761 | 0.76 | HPGD (0.49) | MEN1KMT2ATP53MAPTLMNA | |
| SCHEMBL1507969 | 0.76 | NPC1 (0.40) | MEN1KMT2AMAPTLMNAALDH1A1 | |
| SCHEMBL9914964 | 0.75 | EPHX2 (0.43) | MAPTLMNAHTTSIRT2 | |
| SCHEMBL1508016 | 0.75 | POLB (0.50) | MEN1KMT2AMAPTLMNAALDH1A1 | |
| SCHEMBL14082851 | 0.74 | MEN1 (0.51) | MEN1KMT2AALDH1A1KDM4EHTT | |
| SCHEMBL17865779 | 0.73 | LMNA (0.58) | MAPTLMNAHTTSIRT2 | |
| SCHEMBL1507990 | 0.72 | MAPT (0.53) | MEN1KMT2ATP53MAPTLMNA | |
| SCHEMBL19172319 | 0.72 | TSHR (0.53) | PGRCHEK2MAPTTSHRCES2 |
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 9 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-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 |