Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22165268 | 0.82 | ALDH1A1 (0.55) | ALDH1A1KDM4EL3MBTL1ALOX5HPGD | |
| SCHEMBL3947748 | 0.79 | CYP2A6 (0.53) | CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E | |
| SCHEMBL28956971 | 0.78 | CYP2A6 (0.40) | CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E | |
| SCHEMBL29912567 | 0.78 | CYP2A6 (0.40) | CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E | |
| SCHEMBL6004289 | 0.76 | KDM4E (0.43) | ALDH1A1CYP1A2KDM4ENPC1RAB9A | |
| SCHEMBL3894707 | 0.75 | ALOX5 (0.43) | CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E | |
| SCHEMBL6004731 | 0.73 | IDO1 (0.37) | ALDH1A1CYP1A2KDM4ENPC1RAB9A | |
| SCHEMBL2759492 | 0.72 | CYP2A6 (0.62) | CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E | |
| SCHEMBL2759523 | 0.71 | CYP2A6 (0.56) | CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E | |
| SCHEMBL4882345 | 0.71 | CYP2A6 (0.56) | CYP2A6ALDH1A1CYP1A2CYP3A4KDM4E |
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-1724268-A1 | COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | KIRIN BEER KABUSHIKI KAISHA (JP) | 2006-11-22 | — | — | EP | disclosed |