Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30610947 | 1.00 | CYP11B1 (0.48) | CYP11B1CYP11B2HSP90AA1HSP90B1CYP19A1 | |
| Hydrochloric Acid SCHEMBL1507947 | 0.99 | CYP11B1 (0.47) | CYP11B1CYP11B2HSP90AA1HSP90B1CYP19A1 | |
| SCHEMBL1508003 | 0.94 | CYP19A1 (0.50) | CYP11B1CYP11B2HSP90AA1HSP90B1CYP19A1 | |
| SCHEMBL1508007 | 0.88 | HSP90AA1 (0.50) | CYP11B1CYP11B2HSP90AA1HSP90B1CYP19A1 | |
| SCHEMBL1723554 | 0.87 | HSP90AA1 (0.57) | CYP11B1CYP11B2HSP90AA1HSP90B1KMT2A | |
| Hydrochloric Acid SCHEMBL4053167 | 0.85 | HSP90AA1 (0.56) | HSP90AA1HSP90B1KMT2AMEN1ALDH1A1 | |
| SCHEMBL6981310 | 0.84 | HSP90AA1 (0.42) | CYP11B1CYP11B2HSP90AA1HSP90B1CYP19A1 | |
| SCHEMBL4978567 | 0.83 | HSP90AA1 (0.41) | CYP11B1CYP11B2HSP90AA1HSP90B1KMT2A | |
| SCHEMBL3403218 | 0.81 | SMN1; SMN2 (0.52) | CYP11B1CYP11B2HSP90AA1HSP90B1KMT2A | |
| SCHEMBL3338535 | 0.81 | HSP90AA1 (0.50) | HSP90AA1HSP90B1KMT2AMEN1ALDH1A1 |
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 3 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 | claimed |
| EP-0236940-B1 | ALPHA-HETEROCYCLE SUBSTITUTED TOLUNITRILES | CIBA-GEIGY AG (CH) | 1993-09-22 | — | — | EP | claimed |
| EP-0236940-A2 | Alpha-heterocycle substituted tolunitriles | CIBA-GEIGY AG (CH) | 1987-09-16 | — | — | EP | claimed |