Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9952469 | 0.85 | CYP1A2 (0.51) | CYP1A2HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9953435 | 0.85 | CYP1A2 (0.51) | CYP1A2HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9928952 | 0.84 | NPC1 (0.46) | CYP1A2HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9952305 | 0.84 | CYP1A2 (0.52) | CYP1A2HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9952253 | 0.83 | CYP1A2 (0.45) | CYP1A2HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9952977 | 0.80 | CYP1A2 (0.47) | CYP1A2HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9952246 | 0.80 | CYP1A2 (0.51) | CYP1A2HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9953053 | 0.79 | CYP1A2 (0.51) | CYP1A2HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9952059 | 0.78 | NPC1 (0.51) | CYP1A2HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9952460 | 0.77 | NPC1 (0.50) | CYP1A2HPGDNPC1RAB9ASMN1; SMN2 |
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-2655374-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | Incyte Corporation (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012087881-A1 | N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2012-06-28 | — | — | WO | disclosed |