Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | QPCTL | Q9NXS2 | 5/20 | 0.44 |
| ▸ | QPCT | Q16769 | 5/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.41 |
| ▸ | FEN1 | P39748 | 3/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.37 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAP3K20 | Q9NYL2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3847832 | 0.87 | QPCT (0.45) | QPCTLQPCTALOX5APFEN1ADORA2A | |
| SCHEMBL3847721 | 0.82 | MAPK14 (0.38) | MAPK14QPCTLQPCTALOX5APFEN1 | |
| SCHEMBL3853393 | 0.75 | MAPK14 (0.32) | MAPK14ADORA1ALDH1A1 | |
| SCHEMBL3847529 | 0.75 | CYP3A4 (0.40) | TGFBR1KDM4EALDH1A1TP53HPGD | |
| SCHEMBL3844886 | 0.75 | MAP4K4 (0.36) | TGFBR1ALDH1A1TP53CYP2D6 | |
| SCHEMBL3848884 | 0.74 | EGFR (0.39) | ALOX5APFEN1ALDH1A1CYP2D6 | |
| SCHEMBL3849190 | 0.74 | TGFBR1 (0.44) | ADORA2AADORA2BADORA1TGFBR1TGFBR2 | |
| SCHEMBL3856088 | 0.73 | MAPK14 (0.39) | MAPK14 | |
| SCHEMBL3854592 | 0.73 | FGFR1 (0.35) | ALDH1A1 | |
| SCHEMBL3846896 | 0.73 | CYP3A4 (0.36) | TGFBR1KDM4EALDH1A1TP53HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2048142-A2 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | Eisai R&D Management Co., Ltd. (JP) | 2009-04-15 | — | — | EP | disclosed |
| EP-1382603-B1 | NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | EISAI R&D MAN CO LTD (JP) | 2008-07-23 | — | — | EP | disclosed |
| US-7074801-B1 | Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof | EISAI CO., LTD. (JP) | 2006-07-11 | — | — | US | disclosed |
| EP-1382603-A1 | NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF | Eisai Co., Ltd. (JP) | 2004-01-21 | — | — | EP | disclosed |