Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27806577 | 0.91 | ALK (0.37) | KDM4EL3MBTL1ALDH1A1MEN1KMT2A | |
| SCHEMBL12876298 | 0.91 | MAPK1 (0.36) | GRM5MAPTKDM4EHPGDL3MBTL1 | |
| SCHEMBL1197810 | 0.89 | GRM5 (0.46) | GRM5MAPTKDM4EHPGDL3MBTL1 | |
| SCHEMBL12890297 | 0.87 | KDM4E (0.40) | MAPTKDM4EHPGDL3MBTL1ALDH1A1 | |
| SCHEMBL1198832 | 0.86 | ALK (0.42) | GRM5MAPTKDM4EHPGDL3MBTL1 | |
| SCHEMBL2856251 | 0.86 | GRM5 (0.45) | GRM5MAPTKDM4EHPGDL3MBTL1 | |
| SCHEMBL1199251 | 0.85 | KDM4E (0.38) | GRM5MAPTKDM4EHPGDL3MBTL1 | |
| SCHEMBL1198487 | 0.84 | KDM4E (0.39) | GRM5MAPTKDM4EHPGDL3MBTL1 | |
| SCHEMBL1198745 | 0.84 | MAPK1 (0.42) | GRM5MAPTKDM4EHPGDL3MBTL1 | |
| SCHEMBL1198899 | 0.84 | KDM4E (0.44) | GRM5MAPTKDM4EHPGDL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461348-B2 | Heterocyclic derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-11 | — | — | US | disclosed |
| EP-2264017-A1 | HETEROCYCLIC DERIVATIVE AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2010-12-22 | — | — | EP | disclosed |