Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | HTR1D | P28221 | 2/20 | 0.36 |
| ▸ | HTR1B | P28222 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3852758 | 0.93 | CHRM4 (0.42) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3848219 | 0.88 | CHRM4 (0.40) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3853501 | 0.87 | CHRM4 (0.44) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3855583 | 0.85 | GPR119 (0.41) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3855874 | 0.84 | CHRM4 (0.39) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3848728 | 0.84 | CHRM4 (0.39) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3849596 | 0.83 | CHRM4 (0.44) | CHRM4HTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3847665 | 0.83 | CHRM4 (0.41) | CHRM4PIK3CACYP3A4HPGDPDGFRB | |
| SCHEMBL3848141 | 0.83 | CYP3A4 (0.50) | CYP3A4HPGDPDGFRBMTOR | |
| SCHEMBL4715518 | 0.82 | CHRM4 (0.42) | CHRM4PIK3CAPIK3CDPIK3CBMTOR |
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 |