Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | CCR1 | P32246 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | TRPC1 | P48995 | 1/20 | 0.38 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2859611 | 0.90 | CCR1 (0.53) | NPSR1HSP90AA1MAPTKDM4ECCR1 | |
| SCHEMBL2852844 | 0.89 | LIPE (0.45) | ALDH1A1NPSR1HSP90AA1MAPK1MAPT | |
| SCHEMBL2854667 | 0.84 | ALDH1A1 (0.55) | ALDH1A1NPSR1HSP90AA1MAPK1MAPT | |
| SCHEMBL2856366 | 0.81 | ALDH1A1 (0.38) | ALDH1A1NPSR1HSP90AA1MAPK1MAPT | |
| SCHEMBL2853388 | 0.81 | CCR1 (0.48) | ALDH1A1MAPTKDM4EABCB1CCR1 | |
| SCHEMBL2860476 | 0.79 | CCR1 (0.54) | NPSR1HSP90AA1MAPTKDM4ECCR1 | |
| SCHEMBL2855547 | 0.79 | TAAR1 (0.54) | ALDH1A1NPSR1HSP90AA1MAPTKDM4E | |
| SCHEMBL2856944 | 0.79 | TAAR1 (0.46) | ALDH1A1MAPTKDM4EABCB1CCR1 | |
| SCHEMBL5324620 | 0.78 | MAPT (0.48) | ALDH1A1NPSR1MAPTKDM4ECCR1 | |
| SCHEMBL2853814 | 0.78 | LIPE (0.43) | ALDH1A1NPSR1MAPTKDM4ESMN1; SMN2 |
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-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | claimed |