Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 8/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4716053 | 0.93 | CNR1 (0.38) | CYP3A4HPGDCLK4HIF1AALDH1A1 | |
| SCHEMBL3846738 | 0.91 | ACHE (0.39) | CYP3A4HPGDCLK4HIF1AALDH1A1 | |
| SCHEMBL3847124 | 0.89 | MAPT (0.42) | CYP3A4HPGDCLK4HIF1AALDH1A1 | |
| SCHEMBL3845846 | 0.89 | PHGDH (0.41) | CYP3A4HPGDCLK4HIF1AALDH1A1 | |
| SCHEMBL3853439 | 0.85 | CLK4 (0.42) | CYP3A4HPGDCLK4HIF1AALDH1A1 | |
| SCHEMBL3846797 | 0.84 | CYP3A4 (0.49) | CYP3A4HPGDCLK4HIF1AALDH1A1 | |
| SCHEMBL3846271 | 0.83 | CYP3A4 (0.40) | CYP3A4HPGDCLK4HIF1AALDH1A1 | |
| SCHEMBL3847516 | 0.82 | CYP3A4 (0.36) | CYP3A4HPGDCLK4HIF1AALDH1A1 | |
| SCHEMBL3845654 | 0.79 | ACHE (0.38) | CYP3A4CLK4HIF1AALDH1A1CYP1A2 | |
| SCHEMBL3852228 | 0.79 | CYP3A4 (0.36) | CYP3A4HPGDCLK4HIF1AALDH1A1 |
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 3 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 |