Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 2/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | HTR1B | P28222 | 2/20 | 0.38 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 8/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.35 |
| ▸ | BRAF | P15056 | 1/20 | 0.35 |
| ▸ | CLK2 | P49760 | 1/20 | 0.35 |
| ▸ | CLK3 | P49761 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PRKDC | P78527 | 1/20 | 0.34 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3853501 | 0.92 | CHRM4 (0.44) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3845839 | 0.89 | GPR119 (0.41) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3849227 | 0.88 | CHRM4 (0.46) | CHRM4 | |
| SCHEMBL3849596 | 0.87 | CHRM4 (0.44) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3852758 | 0.85 | CHRM4 (0.42) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3851514 | 0.85 | CHRM4 (0.42) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| Hydrochloric Acid SCHEMBL3848380 | 0.79 | CHRM4 (0.50) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3852574 | 0.79 | CHRM4 (0.41) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3855214 | 0.79 | CHRM4 (0.41) | CHRM4PIK3CAMTOR | |
| SCHEMBL3846521 | 0.78 | MAPKAPK2 (0.46) | — |
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 |