Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 8/20 | 0.40 |
| ▸ | HTR1A | P08908 | 3/20 | 0.40 |
| ▸ | HTR1D | P28221 | 3/20 | 0.40 |
| ▸ | HTR1B | P28222 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 6/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BMPR1A | P36894 | 2/20 | 0.33 |
| ▸ | ACVR1B | P36896 | 2/20 | 0.33 |
| ▸ | ACVRL1 | P37023 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3848853 | 0.92 | ALDH1A1 (0.36) | HTR6HTR1AHTR1DHTR1BHTR2A | |
| SCHEMBL3850600 | 0.89 | NCF1 (0.41) | HTR6HTR1AHTR1DHTR1BHTR2A | |
| SCHEMBL3854363 | 0.89 | CHRM4 (0.35) | NCF1 | |
| SCHEMBL3846081 | 0.88 | PDGFRB (0.34) | ALDH1A1 | |
| SCHEMBL3846326 | 0.87 | — | — | |
| SCHEMBL3848122 | 0.87 | MAPKAPK2 (0.38) | ALDH1A1 | |
| SCHEMBL3847449 | 0.86 | CHRM4 (0.33) | — | |
| SCHEMBL3850518 | 0.86 | CYP46A1 (0.38) | CYP1A2CYP3A4CLK4ALDH1A1 | |
| SCHEMBL3855265 | 0.86 | CHRM4 (0.36) | — | |
| SCHEMBL3848412 | 0.86 | PIK3CA (0.33) | — |
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 |