Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.64 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 4/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BIRC5 | O15392 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16483280 | 0.88 | CYP2A6 (0.50) | CYP2A6CYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL16483768 | 0.88 | CYP2A6 (0.50) | CYP2A6CYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL16483283 | 0.88 | PDGFRB (0.62) | CYP2A6PDGFRBPDGFRAEGFRBIRC5 | |
| SCHEMBL16484799 | 0.86 | NPC1 (0.49) | CYP2A6CYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL15497847 | 0.85 | PDGFRB (0.54) | CYP2A6PDGFRBPDGFRABIRC5PIK3CA | |
| SCHEMBL16483270 | 0.85 | NPC1 (0.51) | CYP2A6CYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL19768535 | 0.85 | CYP2A6 (0.52) | CYP2A6CYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL19768474 | 0.85 | CYP2A6 (0.54) | CYP2A6CYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL16483784 | 0.84 | CYP11B1 (0.51) | CYP2A6CYP11B1CYP11B2CYP17A1CYP19A1 | |
| SCHEMBL16483029 | 0.84 | CYP11B1 (0.51) | CYP2A6CYP11B1CYP11B2CYP17A1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014057873-A1 | PHOSPHINE OXIDE DERIVATIVE AND LIGHT-EMITTING ELEMENT PROVIDED WITH SAME | 東レ株式会社 (JP) | 2014-04-17 | — | — | WO | disclosed |