Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.32 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | PDE5A | O76074 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.32 |
| ▸ | TACR2 | P21452 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22640526 | 0.79 | ALOX5 (0.44) | ALOX5CYP2C19PRKDC | |
| SCHEMBL24886996 | 0.78 | CYP1B1 (0.40) | ALOX5CYP1A1CYP1A2CYP1B1CYP19A1 | |
| SCHEMBL24887980 | 0.77 | CYP1B1 (0.39) | ALOX5CYP1A1CYP1A2CYP1B1CYP19A1 | |
| SCHEMBL18271473 | 0.75 | PLA2G2A (0.42) | ALOX5CYP1A1CYP1A2CYP1B1CYP19A1 | |
| SCHEMBL22789489 | 0.74 | NPSR1 (0.36) | KDM4EHPGDALDH1A1MAPTL3MBTL1 | |
| SCHEMBL24886994 | 0.74 | CYP1A1 (0.40) | ALOX5CYP1A1CYP1A2CYP1B1CYP19A1 | |
| SCHEMBL24887519 | 0.74 | CYP1A1 (0.39) | ALOX5CYP1A1CYP1A2CYP1B1CYP19A1 | |
| SCHEMBL24887611 | 0.74 | CYP1A1 (0.40) | ALOX5CYP1A1CYP1A2CYP1B1CYP19A1 | |
| SCHEMBL24887050 | 0.74 | PLA2G2A (0.39) | ALOX5CYP1A1CYP1A2CYP1B1CYP19A1 | |
| SCHEMBL24887012 | 0.73 | ALOX5 (0.38) | ALOX5CYP1A1CYP1A2CYP1B1CYP19A1 |
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-2017043757-A1 | ORGANIC COMPOUND, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2017-03-16 | — | — | WO | disclosed |