Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 7/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 5/20 | 0.47 |
| ▸ | HTR6 | P50406 | 4/20 | 0.43 |
| ▸ | HTR2C | P28335 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR7 | P34969 | 3/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | HTR3A | P46098 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11944251 | 0.84 | CYP3A4 (0.49) | NPBWR1MCHR1CYP3A4CYP2C19POLB | |
| SCHEMBL17058088 | 0.84 | ALDH1A1 (0.35) | NPBWR1MCHR1HTR6HTR2CHTR1A | |
| SCHEMBL11944131 | 0.82 | POLB (0.49) | NPBWR1MCHR1CYP3A4CYP2C19POLB | |
| SCHEMBL11945394 | 0.82 | MAPT (0.50) | NPBWR1MCHR1TP53CYP3A4CYP2C19 | |
| SCHEMBL4131820 | 0.82 | NPBWR1 (0.45) | NPBWR1MCHR1HTR6HTR2CHTR1A | |
| SCHEMBL11943548 | 0.82 | NPBWR1 (0.45) | NPBWR1MCHR1HTR6HTR2CHTR1A | |
| SCHEMBL17058070 | 0.82 | HTR6 (0.48) | NPBWR1MCHR1HTR6HTR2CHTR1A | |
| Hydrochloric Acid SCHEMBL4137286 | 0.81 | NPBWR1 (0.45) | NPBWR1MCHR1HTR6HTR2CHTR1A | |
| SCHEMBL17057838 | 0.81 | TP53 (0.43) | NPBWR1MCHR1HTR6HTR2CHTR1A | |
| SCHEMBL11945473 | 0.81 | POLB (0.46) | NPBWR1MCHR1TP53CYP3A4CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2137179-B1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-09-02 | — | — | EP | disclosed |