Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 8/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.48 |
| ▸ | HTR6 | P50406 | 6/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR1D | P28221 | 2/20 | 0.47 |
| ▸ | HTR1B | P28222 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.44 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3848852 | 0.90 | ALDH1A1 (0.43) | ADRB2HTR6HTR1AHTR1DHTR1B | |
| SCHEMBL3850354 | 0.87 | NCF1 (0.48) | NCF1ADRB2HTR6HTR1AHTR1D | |
| SCHEMBL3854358 | 0.85 | CHRM4 (0.41) | NCF1ADRB2HTR6HTR1AHTR1D | |
| SCHEMBL3846078 | 0.85 | PDGFRB (0.39) | HTR6HTR1AHTR1DHTR1BHTR2A | |
| SCHEMBL3848119 | 0.84 | MAPKAPK2 (0.44) | ALDH1A1HTR7 | |
| SCHEMBL3846960 | 0.83 | HTR6 (0.40) | NCF1ADRB2HTR6HTR1AHTR1D | |
| SCHEMBL3846323 | 0.83 | NCF1 (0.33) | NCF1HTR6HTR1AHTR1DHTR1B | |
| SCHEMBL3849677 | 0.83 | MEN1 (0.41) | ALDH1A1 | |
| SCHEMBL3851292 | 0.83 | HTR1A (0.38) | HTR6HTR1AHTR1DHTR1BHTR2A | |
| SCHEMBL3848420 | 0.83 | DRD2 (0.42) | — |
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 |