Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 15/20 | 0.65 |
| ▸ | HTR1A | P08908 | 4/20 | 0.54 |
| ▸ | HTR2A | P28223 | 4/20 | 0.54 |
| ▸ | HTR7 | P34969 | 4/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.54 |
| ▸ | HTR3B | O95264 | 2/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | HTR3A | P46098 | 2/20 | 0.54 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.54 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3454917 | 0.85 | HTR6 (0.65) | HTR6HTR1AHTR2AHTR7ADRB1 | |
| Hydrochloric Acid SCHEMBL11370762 | 0.84 | HTR6 (0.63) | HTR6HTR1AHTR2AHTR7ADRB1 | |
| SCHEMBL3454087 | 0.83 | HTR6 (0.70) | HTR6HTR1AHTR2AHTR7ADRB1 | |
| SCHEMBL12719397 | 0.80 | HTR6 (0.70) | HTR6HTR1AHTR2AHTR7ADRB1 | |
| SCHEMBL3849278 | 0.79 | HTR6 (0.65) | HTR6HTR1AHTR2AHTR7ADRB1 | |
| SCHEMBL2626629 | 0.79 | HTR6 (0.65) | HTR6HTR1AHTR2AHTR7ADRB1 | |
| SCHEMBL3826873 | 0.79 | HTR6 (1.00) | HTR6HTR1AHTR2AHTR7ADRB1 | |
| SCHEMBL30437132 | 0.77 | HTR6 (0.65) | HTR6HTR1AHTR2AHTR7ADRB1 | |
| SCHEMBL3851656 | 0.76 | HTR6 (0.60) | HTR6HTR1AHTR2AHTR7ADRB1 | |
| SCHEMBL3846907 | 0.76 | HTR6 (0.60) | HTR6HTR1AHTR2AHTR7ADRB1 |
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 |