Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP8B1 | Q9UNU6 | 2/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 2/20 | 0.34 |
| ▸ | BRAF | P15056 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL5851864 | 0.88 | CYP3A4 (0.38) | CYP3A4HPGDLMNACYP8B1MEN1 | |
| SCHEMBL3848219 | 0.86 | CHRM4 (0.40) | CYP8B1PIK3CAHTR1AHTR1DHTR1B | |
| SCHEMBL3848141 | 0.85 | CYP3A4 (0.50) | CYP3A4HPGDCYP8B1SYK | |
| SCHEMBL3852758 | 0.83 | CHRM4 (0.42) | CYP3A4HPGDCYP8B1PIK3CAHTR1A | |
| SCHEMBL5854355 | 0.83 | CYP3A4 (0.39) | CYP3A4HPGDLMNACYP8B1KMT2A | |
| Hydrochloric Acid SCHEMBL3851597 | 0.83 | CYP3A4 (0.36) | CYP3A4HPGDLMNACYP8B1SYK | |
| SCHEMBL3855583 | 0.82 | GPR119 (0.41) | CYP8B1PIK3CAHTR1AHTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL4761000 | 0.81 | CYP3A4 (0.41) | CYP3A4HPGDLMNACYP8B1SYK | |
| SCHEMBL3844619 | 0.81 | MAPKAPK2 (0.40) | PIK3CAHTR1AHTR1DHTR1BHTR2A | |
| SCHEMBL3855874 | 0.80 | CHRM4 (0.39) | CYP3A4HPGDPIK3CAHTR1AHTR1D |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |