Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3947748 | 0.71 | CYP2A6 (0.53) | CYP2A6CYP19A1NPC1KDM4ERAB9A | |
| SCHEMBL21083089 | 0.71 | CYP19A1 (0.59) | CYP2A6CYP19A1NPC1KDM4ERAB9A | |
| SCHEMBL19009235 | 0.70 | CYP2A6 (0.81) | CYP2A6CYP19A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL12861647 | 0.70 | CYP19A1 (0.66) | CYP2A6CYP19A1KDM4ECYP3A4CYP11B1 | |
| SCHEMBL15984859 | 0.69 | CYP2A6 (0.62) | CYP2A6CYP19A1NPC1KDM4ERAB9A | |
| SCHEMBL3658012 | 0.68 | CYP2A6 (0.43) | CYP2A6CYP11B1CYP11B2 | |
| SCHEMBL30060579 | 0.67 | KDM4E (0.57) | CYP2A6CYP19A1NPC1KDM4ERAB9A | |
| SCHEMBL4631807 | 0.67 | KDM4E (0.57) | CYP2A6CYP19A1NPC1KDM4ERAB9A | |
| SCHEMBL29907865 | 0.67 | CYP19A1 (0.79) | CYP2A6CYP19A1NPC1KDM4ERAB9A | |
| SCHEMBL28912921 | 0.67 | CYP19A1 (0.79) | CYP2A6CYP19A1NPC1KDM4ERAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2242742-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009087212-A2 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2009-07-16 | — | — | WO | disclosed |