Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16483731 | 0.97 | PIK3CA (0.42) | PIK3CAADORA2AADORA2BADORA1MAPK9 | |
| SCHEMBL16483109 | 0.97 | PIK3CA (0.42) | PIK3CAADORA2AADORA2BADORA1MAPK9 | |
| SCHEMBL16483774 | 0.96 | PIK3CA (0.41) | PIK3CAADORA2AADORA2BADORA1MAPK9 | |
| SCHEMBL16483738 | 0.96 | PIK3CA (0.41) | PIK3CAADORA2AADORA2BADORA1MAPK9 | |
| SCHEMBL16483327 | 0.96 | NPC1 (0.40) | PIK3CAADORA2AADORA2BADORA1MAPK9 | |
| SCHEMBL16483680 | 0.95 | PIK3CA (0.43) | PIK3CAADORA2AADORA2BADORA1MAPK9 | |
| SCHEMBL16483633 | 0.95 | PIK3CA (0.42) | PIK3CAADORA2AADORA2BADORA1MAPK9 | |
| SCHEMBL16483790 | 0.94 | ADORA2A (0.42) | PIK3CAADORA2AADORA2BADORA1MAPK9 | |
| SCHEMBL16483024 | 0.94 | ADORA2A (0.42) | PIK3CAADORA2AADORA2BADORA1MAPK9 | |
| SCHEMBL16483080 | 0.93 | SMN1; SMN2 (0.42) | PIK3CAADORA2AADORA2BADORA1SMN1; 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 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 |