Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 2/20 | 0.47 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | 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 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4717123 | 0.99 | CHRM4 (0.46) | CHRM4PIK3CAGPR119NCF1HTR1A | |
| SCHEMBL3852853 | 0.92 | CHRM4 (0.43) | CHRM4PIK3CAGPR119NCF1HTR1A | |
| Hydrochloric Acid SCHEMBL3855187 | 0.91 | CHRM4 (0.44) | CHRM4PIK3CANCF1HTR1AHTR1D | |
| Hydrochloric Acid SCHEMBL5852304 | 0.91 | CHRM4 (0.42) | CHRM4PIK3CAGPR119NCF1HTR1A | |
| Hydrochloric Acid SCHEMBL3848213 | 0.89 | GPR119 (0.42) | CHRM4PIK3CAGPR119 | |
| Hydrochloric Acid SCHEMBL3846951 | 0.88 | CHRM4 (0.49) | CHRM4PIK3CAGPR119NCF1HTR1A | |
| Hydrochloric Acid SCHEMBL3845630 | 0.85 | PIK3CA (0.38) | CHRM4PIK3CAGPR119HTR1AHTR1D | |
| Hydrochloric Acid SCHEMBL3852323 | 0.85 | CHRM4 (0.41) | CHRM4PIK3CAGPR119HTR1AHTR1D | |
| Hydrochloric Acid SCHEMBL3849314 | 0.84 | CHRM4 (0.46) | CHRM4PIK3CAGPR119CYP8B1 | |
| Hydrochloric Acid SCHEMBL3846072 | 0.84 | MAP4K1 (0.41) | PIK3CAGPR119HTR1AHTR1DHTR1B |
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 1 patent. 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 |