Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.44 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.39 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1702560 | 0.87 | PARP10 (0.45) | PARP1PARP2PARP10PARP4CA1 | |
| SCHEMBL23411786 | 0.84 | KDM1A (0.47) | OPRD1GABRDGABRA1GABRB1GABRA5 | |
| SCHEMBL20977973 | 0.79 | PARP10 (0.40) | PARP1PARP2OPRD1CYP2D6OPRM1 | |
| SCHEMBL19486880 | 0.76 | ESR2 (0.43) | OPRD1CYP2D6OPRM1OPRK1KCNH2 | |
| SCHEMBL19466203 | 0.76 | ALDH1A1 (0.41) | PARP1PARP2OPRD1CYP2D6OPRM1 | |
| SCHEMBL13351657 | 0.75 | PARP10 (0.46) | PARP1PARP2KCNH2PARP10PARP4 | |
| SCHEMBL18296314 | 0.74 | OPRM1 (0.51) | OPRD1CYP2D6OPRM1KCNH2GABRD | |
| SCHEMBL22411667 | 0.73 | PARP10 (0.41) | PARP1PARP2OPRD1PARP10PARP4 | |
| SCHEMBL22806732 | 0.72 | PARP1 (0.64) | PARP1PARP2PARP10PARP4PARP14 | |
| SCHEMBL655680 | 0.72 | DRD2 (0.60) | CYP2D6OPRM1KMT2A |
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 |