Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ATP6V1B2 | P21281 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.34 |
| ▸ | EDNRA | P25101 | 1/20 | 0.34 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10488580 | 0.87 | HTT (0.50) | HTTCYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10488632 | 0.85 | HTT (0.53) | HTTCYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10488835 | 0.85 | HTT (0.53) | HTTCYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10488586 | 0.83 | LRRK2 (0.47) | HTTCYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10565099 | 0.81 | PDE4D (0.56) | ALDH1A1POLBPDE4D | |
| SCHEMBL10488467 | 0.79 | TTR (0.50) | CYP2C9CYP2D6CYP2C19ALDH1A1TTR | |
| SCHEMBL10488583 | 0.75 | LMNA (0.53) | HTTALDH1A1POLBLMNASIGMAR1 | |
| SCHEMBL11088801 | 0.69 | HTT (0.49) | HTTCYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL874422 | 0.68 | HRH1 (0.41) | CYP2C9ALDH1A1LMNAATP6V1B2TBXA2R | |
| SCHEMBL2339894 | 0.67 | HRH1 (0.39) | CYP2C9ALDH1A1LMNAATP6V1B2TBXA2R |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4871737-A | 3-Amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants muscle relaxants and anxiolytics | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-10-03 | — | — | US | disclosed |
| EP-0315433-A2 | 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics | A.H. ROBINS COMPANY, INCORPORATED (US) | 1989-05-10 | — | — | EP | disclosed |
| US-4826866-A | 3-amino-5-methyl-1H-pyrazole-4-carboxylic acids and esters thereof as anticonvulsants, muscle relaxants and anxiolytics | A. H. ROBINS COMPANY, INCORPORATED (US) | 1989-05-02 | — | — | US | disclosed |