Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 4/20 | 0.43 |
| ▸ | HTR5A | P47898 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 11/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 11/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | MLYCD | O95822 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4429615 | 0.89 | ALOX5 (0.52) | ALOX5GRM2GRM3HDAC6CYP2D6 | |
| SCHEMBL30662232 | 0.79 | ALOX5 (0.37) | ALOX5OPRM1OPRD1MLYCD | |
| SCHEMBL10323234 | 0.73 | KDM5A (0.40) | ALOX5GRM2GRM3CYP2D6 | |
| SCHEMBL10323213 | 0.72 | KDM5A (0.41) | ALOX5GRM2GRM3CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL6202029 | 0.70 | ALOX5 (0.40) | ALOX5GRM2GRM3MLYCDHDAC6 | |
| Trifluoroacetic Acid SCHEMBL28532381 | 0.69 | HPGD (0.40) | GRM2GRM3MLYCDHDAC6CYP2D6 | |
| SCHEMBL3588549 | 0.69 | KDM5A (0.47) | ALOX5 | |
| SCHEMBL3599049 | 0.69 | KDM5A (0.46) | ALOX5CYP2D6 | |
| Cimemoxin SCHEMBL4959791 | 0.69 | CYP2D6 (0.47) | GRM2GRM3MLYCDHDAC6CYP2D6 | |
| SCHEMBL16054265 | 0.68 | ALOX5 (0.47) | ALOX5OPRM1OPRD1SLC6A2SLC6A4 |
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-2118106-A1 | PURINES AS CYSTEINE PROTEASE INHIBITORS | Glaxo Group Limited (GB) | 2009-11-18 | — | — | EP | claimed |
| WO-2008107368-A1 | PURINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2008-09-12 | — | — | WO | claimed |