Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | MAPK8 | P45983 | 9/20 | 0.51 |
| ▸ | MAPK10 | P53779 | 8/20 | 0.51 |
| ▸ | MAPK9 | P45984 | 6/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1040586 | 0.80 | MAPK8 (0.77) | CYP1A2POLBCYP3A4CYP2C19MAPK8 | |
| SCHEMBL9052070 | 0.78 | MAPT (0.54) | CYP1A2POLBCYP3A4CYP2C19MAPK8 | |
| SCHEMBL9050785 | 0.74 | MAPK8 (0.64) | MAPK8MAPK10MAPK9MAPTHPGD | |
| SCHEMBL9052092 | 0.72 | KMT2A (0.51) | CYP1A2POLBCYP3A4CYP2C19MAPK8 | |
| SCHEMBL23413572 | 0.69 | NPC1 (0.76) | CYP1A2POLBCYP3A4CYP2C19MAPK8 | |
| SCHEMBL13541545 | 0.69 | HPGD (0.70) | CYP1A2POLBCYP3A4CYP2C19MAPT | |
| SCHEMBL12297957 | 0.68 | ALDH1A1 (0.71) | CYP1A2POLBCYP3A4CYP2C19MAPK8 | |
| SCHEMBL3712247 | 0.68 | MAPK8 (0.78) | CYP1A2POLBCYP3A4CYP2C19MAPK8 | |
| SCHEMBL11467089 | 0.67 | MAPT (0.63) | CYP1A2POLBCYP3A4CYP2C19MAPK8 | |
| SCHEMBL3714662 | 0.67 | MAPK8 (0.80) | MAPK8MAPK10MAPK9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0717044-A1 | Thienopyridone derivatives, their preparation and their use as NMDA-receptor antagonists | MERCK PATENT GmbH (DE) | 1996-06-19 | — | — | EP | disclosed |