Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 8/20 | 0.36 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
| ▸ | TEC | P42680 | 1/20 | 0.35 |
| ▸ | SCN7A | Q01118 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL2232086 | 0.85 | MAP4K4 (0.44) | CYP1A2CYP3A4KDM4EALDH1A1 | |
| SCHEMBL2232609 | 0.78 | HTR6 (0.48) | SCN9ASCN10ASCN7AKCNH2SCN5A | |
| SCHEMBL13582633 | 0.77 | ALDH1A1 (0.47) | ALDH1A1LTA4H | |
| SCHEMBL2236064 | 0.76 | TYR (0.46) | NPBWR1MCHR1CYP1A2CYP3A4SCN9A | |
| SCHEMBL2232061 | 0.76 | PDE4B (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19KDM4E | |
| SCHEMBL21458325 | 0.75 | MTNR1A (0.47) | KDM4EALDH1A1 | |
| SCHEMBL31731406 | 0.75 | MTNR1A (0.47) | KDM4EALDH1A1 | |
| SCHEMBL10309472 | 0.75 | AKR1C3 (0.49) | CYP1A2CYP2D6KCNH2ABCB11ALDH1A1 | |
| SCHEMBL3720364 | 0.73 | NCF1 (0.38) | CYP3A4KDM4EALDH1A1 | |
| SCHEMBL22095444 | 0.72 | HSD17B10 (0.39) | CYP1A2TECALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2528897-B9 | DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMA CO LTD (JP) | 2015-04-22 | — | — | EP | disclosed |
| EP-2528897-B1 | DI-SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMA CO LTD (JP) | 2014-10-15 | — | — | EP | disclosed |
| EP-2528897-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | Otsuka Pharmaceutical Co., Ltd. (JP) | 2012-12-05 | — | — | EP | disclosed |
| CN-102791690-A | Di-substituted pyridine derivatives as anticancers | OTSUKA PHARMA CO LTD | 2012-11-21 | — | — | CN | disclosed |
| WO-2011093524-A9 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-12-01 | — | — | WO | disclosed |
| WO-2011093524-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-04 | — | — | WO | disclosed |