Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | GAK | O14976 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4722809 | 0.90 | GAA (0.54) | CYP1A2CYP1A1CYP1B1PRKDCMEN1 | |
| SCHEMBL4719650 | 0.87 | PRKDC (0.48) | CYP1A2CYP1A1CYP1B1PRKDCMEN1 | |
| SCHEMBL14101765 | 0.87 | CYP1A2 (0.41) | CYP1A2CYP1A1CYP1B1PRKDCMEN1 | |
| SCHEMBL4723306 | 0.87 | NPSR1 (0.48) | CYP1A2CYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL4723078 | 0.83 | CYP1A2 (0.41) | CYP1A2CYP1A1CYP1B1PRKDCMEN1 | |
| SCHEMBL4723079 | 0.83 | MEN1 (0.44) | CYP1A2CYP1A1CYP1B1PRKDCMEN1 | |
| SCHEMBL4720635 | 0.80 | MEN1 (0.42) | CYP1A2CYP1A1CYP1B1PRKDCMEN1 | |
| SCHEMBL14102067 | 0.79 | GSK3B (0.41) | CYP1A2CYP1A1CYP1B1PRKDCMEN1 | |
| SCHEMBL4723174 | 0.78 | MAPT (0.47) | CYP1A2CYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL4723482 | 0.78 | MAPT (0.46) | CYP1A2CYP1A1CYP1B1MEN1KMT2A |
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-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |