Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | GAK | O14976 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | STK4 | Q13043 | 1/20 | 0.42 |
| ▸ | STK3 | Q13188 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | 0.87 | GAA (0.54) | PRKDCCYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL4724040 | 0.87 | CYP1A2 (0.44) | PRKDCCYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL4723306 | 0.84 | NPSR1 (0.48) | CYP1A2CYP2C9MAPK1L3MBTL1CYP1A1 | |
| SCHEMBL14101765 | 0.84 | CYP1A2 (0.41) | PRKDCCYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL4764880 | 0.81 | PRKDC (0.43) | PRKDCCYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL4720635 | 0.78 | MEN1 (0.42) | PRKDCCYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL14102067 | 0.77 | GSK3B (0.41) | PRKDCCYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL4722725 | 0.77 | PRKDC (0.43) | PRKDCCYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL4722479 | 0.76 | MTOR (0.45) | PRKDCCYP1A2CYP2C19CYP2C9CYP3A4 | |
| SCHEMBL4723174 | 0.76 | MAPT (0.47) | CYP1A2CYP2C9MAPK1L3MBTL1CYP1A1 |
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 |