Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | APP | P05067 | 8/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 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 | |
|---|---|---|---|---|
| SCHEMBL544520 | 0.82 | APP (0.61) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30313237 | 0.82 | APP (0.61) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3618185 | 0.82 | NPC1 (0.54) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3613914 | 0.82 | ALDH1A1 (0.53) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4092242 | 0.81 | NPC1 (0.51) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2564870 | 0.81 | L3MBTL1 (0.52) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17050818 | 0.81 | MRGPRX4 (0.60) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31108365 | 0.81 | L3MBTL1 (0.52) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL26607033 | 0.80 | APP (0.44) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4084230 | 0.79 | RAB9A (0.52) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 |
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-2004648-A1 | PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER | Vernalis (R&D) Limited (GB) | 2008-12-24 | — | — | EP | disclosed |
| WO-2007034185-A1 | PURINE COMPOUNDS AS HSP90 PROTEIN INHIBITORS FOR THE TREATMENT OF CANCER | VERNALIS (R & D) LTD. (GB) | 2007-03-29 | — | — | WO | disclosed |