Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 3/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | METAP1 | P53582 | 2/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16483792 | 1.00 | CYP2A6 (0.44) | CYP2A6PIM1ALOX5APFEN1PIM2 | |
| SCHEMBL16483714 | 0.95 | CYP2A6 (0.40) | CYP2A6PIM1ALOX5APFEN1PIM2 | |
| SCHEMBL16483107 | 0.95 | CYP2A6 (0.40) | CYP2A6PIM1ALOX5APFEN1PIM2 | |
| SCHEMBL16484798 | 0.94 | CYP2A6 (0.42) | CYP2A6PIM1ALOX5APFEN1PIM2 | |
| SCHEMBL16483262 | 0.92 | GRM5 (0.39) | CYP2A6PIM1ALOX5APFEN1PIM2 | |
| SCHEMBL16483396 | 0.90 | CYP2A6 (0.45) | CYP2A6ALOX5APFEN1METAP1METAP2 | |
| SCHEMBL16484831 | 0.90 | CYP2A6 (0.45) | CYP2A6ALOX5APFEN1METAP1METAP2 | |
| SCHEMBL16483030 | 0.89 | CYP2A6 (0.56) | CYP2A6PIM1PIM2CYP17A1CYP11B1 | |
| SCHEMBL16483783 | 0.89 | CYP2A6 (0.56) | CYP2A6PIM1PIM2CYP17A1CYP11B1 | |
| SCHEMBL16483791 | 0.88 | KDM4E (0.39) | CYP2A6METAP1TGFBR1KDM4ENPC1 |
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 |