Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 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 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | SORD | Q00796 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL3851292 | 0.90 | HTR1A (0.38) | CTSSHTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3846231 | 0.87 | MAPKAPK2 (0.46) | ALDH1A1KDM4ESMN1; SMN2MAPKAPK2MEN1 | |
| SCHEMBL3845803 | 0.86 | CTSS (0.33) | CTSSHTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3850111 | 0.86 | MTOR (0.39) | ALDH1A1KDM4EMAPKAPK2MTORMEN1 | |
| SCHEMBL3850354 | 0.83 | NCF1 (0.48) | HTR1AHTR1DHTR1BHTR6HTR2A | |
| SCHEMBL3847491 | 0.83 | CYP2C19 (0.45) | ALDH1A1MAPKAPK2PIK3CAMTORMEN1 | |
| SCHEMBL3844619 | 0.83 | MAPKAPK2 (0.40) | CTSSHTR1AHTR1DHTR1BHTR6 | |
| SCHEMBL3846799 | 0.82 | MTOR (0.40) | CTSSALDH1A1KDM4EMTORCYP3A4 | |
| SCHEMBL3848728 | 0.81 | CHRM4 (0.39) | HTR1AHTR1DHTR1BHTR6HTR2A | |
| SCHEMBL3848141 | 0.81 | CYP3A4 (0.50) | ALDH1A1KDM4EGAAMTORCYP1A2 |
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 |