Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.73 |
| ▸ | TP53 | P04637 | 1/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.65 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.48 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.48 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL458500 | 1.00 | GAA (1.00) | GAALMNAALDH1A1CYP3A4TP53 | |
| SCHEMBL10488946 | 1.00 | GAA (1.00) | GAALMNAALDH1A1CYP3A4TP53 | |
| SCHEMBL1991458 | 0.98 | GAA (0.95) | GAALMNAALDH1A1CYP3A4TP53 | |
| SCHEMBL5098857 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27472901 | 0.85 | — | — | |
| SCHEMBL491492 | 0.85 | ALDH1A1 (1.00) | GAALMNAALDH1A1CYP3A4TP53 | |
| SCHEMBL11597254 | 0.85 | ALDH1A1 (1.00) | GAALMNAALDH1A1CYP3A4TP53 | |
| SCHEMBL11842060 | 0.85 | ALDH1A1 (1.00) | GAALMNAALDH1A1CYP3A4TP53 | |
| SCHEMBL21560406 | 0.80 | ALDH1A1 (0.80) | GAALMNAALDH1A1CYP3A4TP53 | |
| SCHEMBL3075189 | 0.79 | ALDH1A1 (0.70) | GAALMNAALDH1A1CYP3A4TP53 |
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 |