Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.67 |
| ▸ | HRH1 | P35367 | 2/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.54 |
| ▸ | CNR1 | P21554 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | CASR | P41180 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1977932 | 0.91 | HTR2A (0.56) | HTR2AHRH1SLC6A4CNR1TAAR1 | |
| SCHEMBL3638413 | 0.80 | HTR2A (1.00) | HTR2AHRH1SLC6A4CNR1SLC6A2 | |
| SCHEMBL10845042 | 0.80 | GAA (0.56) | HTR2AHRH1SLC6A4TAAR1SLC6A2 | |
| SCHEMBL386863 | 0.80 | SLC6A4 (0.47) | HTR2AHRH1SLC6A4TAAR1SLC6A2 | |
| SCHEMBL19399097 | 0.80 | GAA (0.56) | HTR2AHRH1SLC6A4TAAR1SLC6A2 | |
| SCHEMBL16649689 | 0.80 | SLC6A4 (0.47) | HTR2AHRH1SLC6A4TAAR1SLC6A2 | |
| SCHEMBL22957651 | 0.80 | GAA (0.56) | HTR2AHRH1SLC6A4TAAR1SLC6A2 | |
| SCHEMBL2303674 | 0.80 | SLC6A4 (0.64) | HTR2AHRH1SLC6A4CNR1SLC6A2 | |
| SCHEMBL1978888 | 0.80 | AKT2 (0.65) | HTR2AHRH1 | |
| SCHEMBL8583011 | 0.79 | HRH1 (0.67) | HTR2AHRH1SLC6A4SLC6A2SLC6A3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1933832-A2 | PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | Astex Therapeutics Limited (GB) | 2008-06-25 | — | — | EP | disclosed |
| WO-2006136837-A2 | PHARMACEUTICAL COMBINATIONS COMPRISING PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |