Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | F11 | P03951 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 2/20 | 0.34 |
| ▸ | F7 | P08709 | 1/20 | 0.34 |
| ▸ | F3 | P13726 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL947437 | 1.00 | CYP2A6 (0.46) | CYP2A6F11MAOBALDH1A1KDM4E | |
| SCHEMBL5633093 | 0.98 | CYP2A6 (0.45) | CYP2A6F11MAOBALDH1A1KDM4E | |
| SCHEMBL16938449 | 0.78 | ALDH1A1 (0.46) | CYP2A6ALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL29988400 | 0.78 | ALDH1A1 (0.46) | CYP2A6ALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL664585 | 0.78 | ALDH1A1 (0.46) | CYP2A6ALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL5633092 | 0.78 | CYP2A6 (0.45) | CYP2A6F11MAOBMAPK1DAO | |
| SCHEMBL1827251 | 0.77 | LMNA (0.44) | CYP2A6ALDH1A1CYP2C9ALOX15HSD17B10 | |
| SCHEMBL3152266 | 0.77 | ALDH1A1 (0.45) | CYP2A6ALDH1A1KDM4ECYP1A2HPGD | |
| SCHEMBL1583773 | 0.77 | ALDH1A1 (0.45) | CYP2A6ALDH1A1KDM4ECYP1A2HPGD | |
| Ammonia Solution, Strong SCHEMBL3156815 | 0.77 | ALDH1A1 (0.45) | CYP2A6ALDH1A1KDM4ECYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2208726-B1 | Cyclic amide derivatives, and their production and use as antithrombotic agents | TAKEDA PHARMACEUTICAL (JP) | 2014-08-20 | — | — | EP | disclosed |