Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | STK17B | O94768 | 1/20 | 0.40 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL14744029 | 0.81 | MMP2 (0.53) | NPSR1ALDH1A1GFERHTTBCHE | |
| SCHEMBL14738249 | 0.80 | MMP2 (0.54) | NPSR1ALDH1A1GFERHTTBCHE | |
| SCHEMBL9573412 | 0.74 | NPSR1 (0.43) | NPSR1ALDH1A1GFERCACNA1HCACNA1B | |
| SCHEMBL12647348 | 0.73 | TDP1 (0.47) | NPSR1STK17BSTK17AMEN1GAA | |
| SCHEMBL4713820 | 0.73 | NPSR1 (0.47) | NPSR1ALDH1A1GFERHTTBCHE | |
| SCHEMBL20630527 | 0.73 | CACNA1H (0.43) | NPSR1GFERCACNA1HCACNA1BCACNA1C | |
| SCHEMBL15244410 | 0.72 | CACNA1B (0.48) | NPSR1ALDH1A1GFERCACNA1HCACNA1B | |
| SCHEMBL15244428 | 0.72 | TP53 (0.42) | BCHENQO2CKS1BSKP1SKP2 | |
| SCHEMBL29099180 | 0.69 | NPSR1 (0.49) | NPSR1ALDH1A1GFERHTTBCHE | |
| SCHEMBL1302384 | 0.69 | NPSR1 (0.51) | NPSR1ALDH1A1GFERHTTBCHE |
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-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |