Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS | O95271 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.37 |
| ▸ | GAA | P10253 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7327598 | 0.87 | TNKS (0.41) | TNKSPARP1TNKS2KDM4EGAA | |
| SCHEMBL7329537 | 0.86 | ALDH1A1 (0.37) | TNKSPARP1TNKS2KDM4EGAA | |
| SCHEMBL7328372 | 0.85 | NPC1 (0.35) | KDM4EALDH1A1MAPTADORA3 | |
| SCHEMBL7330447 | 0.84 | BRD4 (0.41) | PARP1KDM4EGAAALDH1A1HPGD | |
| SCHEMBL7337599 | 0.82 | TNKS (0.39) | TNKSPARP1TNKS2KDM4EALDH1A1 | |
| SCHEMBL7331334 | 0.82 | BRD4 (0.36) | PARP1KDM4EGAAALDH1A1HPGD | |
| SCHEMBL7337898 | 0.80 | TDP2 (0.38) | MAPTPOLBNOTUM | |
| SCHEMBL7331031 | 0.80 | MAPT (0.48) | GAAALDH1A1MAPTPOLBADORA2A | |
| SCHEMBL7338197 | 0.78 | CTSV (0.35) | PARP1KDM4EGAAALDH1A1MAPT | |
| SCHEMBL7327732 | 0.68 | TNKS (0.39) | TNKSPARP1TNKS2KDM4EGAA |
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-0726900-A1 | 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS | Aventis Pharma S.A. (FR) | 1996-08-21 | — | — | EP | disclosed |
| WO-1995012594-A1 | 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS | RHONE-POULENC RORER S.A. (FR) | 1995-05-11 | — | — | WO | disclosed |