Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | BCR | P11274 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PDE1A | P54750 | 2/20 | 0.35 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.35 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31162924 | 1.00 | NPC1 (0.41) | NPC1RAB9AABL1BCRPOLB | |
| SCHEMBL28997095 | 0.90 | ADORA2A (0.36) | NPC1RAB9AADORA2AADORA2BADORA1 | |
| SCHEMBL2244617 | 0.85 | XDH (0.46) | ABL1BCRXDHHASPINADORA2A | |
| SCHEMBL2186841 | 0.82 | CYP1A2 (0.43) | ABL1BCRPOLBADORA2AADORA2B | |
| SCHEMBL22494376 | 0.77 | PI4KA (0.34) | XDHHASPINCYP1A2CYP3A4MAPK1 | |
| SCHEMBL22494363 | 0.77 | IRAK4 (0.32) | XDHHASPIN | |
| SCHEMBL256376 | 0.75 | PI4KA (0.46) | NPC1RAB9ACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL31194479 | 0.75 | PI4KA (0.46) | NPC1RAB9ACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL31271776 | 0.75 | IRAK4 (0.35) | — | |
| SCHEMBL2956922 | 0.74 | SIGMAR1 (0.50) | SIGMAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |