Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 17/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 16/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
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 SCHEMBL3846072 | 0.88 | MAP4K1 (0.41) | HTR1AHTR1DHTR1BHTR2AHTR6 | |
| Trifluoroacetic Acid SCHEMBL3857455 | 0.87 | NR1H2 (0.37) | NR1H2NR1H3DRD2HTR1AHTR1D | |
| SCHEMBL3852853 | 0.86 | CHRM4 (0.43) | NR1H2NR1H3HTR1AHTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL5852304 | 0.85 | CHRM4 (0.42) | NR1H2NR1H3HTR1AHTR1DHTR1B | |
| Hydrochloric Acid SCHEMBL3851597 | 0.84 | CYP3A4 (0.36) | NR1H2NR1H3HTR1AHTR1DHTR1B | |
| Trifluoroacetic Acid SCHEMBL3848126 | 0.84 | KCNH2 (0.44) | DRD2 | |
| SCHEMBL3854617 | 0.81 | CHRM4 (0.47) | HTR1AHTR1DHTR1BHTR2AHTR6 | |
| SCHEMBL3847838 | 0.81 | SORD (0.38) | HTR1AHTR1DHTR1BHTR2AHTR6 | |
| SCHEMBL3852542 | 0.81 | GAA (0.51) | — | |
| SCHEMBL3856496 | 0.81 | DRD2 (0.41) | NR1H2NR1H3MLYCDDRD2HTR1A |
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 |