Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7314634 | 0.93 | GLA (0.38) | KDM1AGRIN1GRIN2BCHRM2CHRM1 | |
| SCHEMBL7303867 | 0.91 | SMN1; SMN2 (0.38) | CYP1A2MAPK1SMN1; SMN2KDM1ACHRM2 | |
| SCHEMBL7314235 | 0.90 | GRIN1 (0.42) | CYP1A2MAPK1SMN1; SMN2GRIN1GRIN2B | |
| SCHEMBL7305674 | 0.89 | S1PR5 (0.33) | CYP1A2MAPK1SMN1; SMN2KDM1AGRIN1 | |
| SCHEMBL7306204 | 0.89 | ITGB3 (0.38) | SMN1; SMN2KDM1ACHRM2CHRM1HTR7 | |
| SCHEMBL7304274 | 0.88 | SMN1; SMN2 (0.34) | SMN1; SMN2GRIN1GRIN2BCHRM2CHRM1 | |
| SCHEMBL7317126 | 0.86 | GRIN1 (0.42) | GRIN1GRIN2BCHRM2CHRM1HTR7 | |
| SCHEMBL7305548 | 0.86 | CHRM2 (0.39) | CYP1A2MAPK1SMN1; SMN2GRIN1GRIN2B | |
| SCHEMBL7305895 | 0.86 | CHRM2 (0.39) | CYP1A2MAPK1SMN1; SMN2GRIN1GRIN2B | |
| SCHEMBL7307068 | 0.85 | CYP1A2 (0.38) | CYP1A2MAPK1SMN1; SMN2KDM1A |
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-0711770-A1 | Antagonists of adhesion receptors | MERCK PATENT GmbH (DE) | 1996-05-15 | — | — | EP | disclosed |