Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1870727 | 0.82 | MAPT (0.44) | PARP1HPGDCYP2C19MAPTNPSR1 | |
| SCHEMBL23420336 | 0.80 | PARP1 (0.49) | PARP1HPGDCYP2C19MAPTNPSR1 | |
| SCHEMBL31013410 | 0.75 | PARP1 (0.64) | PARP1HPGDCYP2C19NPSR1AURKA | |
| SCHEMBL27588809 | 0.73 | NPSR1 (0.52) | PARP1HPGDCYP2C19MAPTNPSR1 | |
| SCHEMBL1000855 | 0.71 | NPSR1 (0.44) | PARP1HPGDCYP2C19NPSR1AURKB | |
| SCHEMBL10964174 | 0.70 | PTGER4 (0.55) | PARP1KEAP1FFAR1 | |
| SCHEMBL1000052 | 0.69 | PTGER1 (0.47) | PARP1HPGDCYP2C19NPSR1KEAP1 | |
| Succinic Acid SCHEMBL28017229 | 0.69 | PARP1 (0.45) | PARP1HPGDMAPTNPSR1TSHR | |
| SCHEMBL15797736 | 0.68 | MAPT (0.41) | PARP1HPGDMAPTAURKAAURKB | |
| SCHEMBL9167113 | 0.68 | NPSR1 (0.41) | HPGDCYP2C19NPSR1KEAP1FFAR1 |
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-0784628-A1 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1997-07-23 | — | — | EP | disclosed |
| WO-1995035308-A1 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1995-12-28 | — | — | WO | disclosed |