Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 9/20 | 0.41 |
| ▸ | GRIA2 | P42262 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | CTSC | P53634 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16555962 | 1.00 | GRIK1 (0.41) | GRIK1GRIA2CYP1A2CYP2D6ALOX15 | |
| SCHEMBL8214977 | 0.83 | CTSC (0.34) | GRIK1GRIA2CYP2C19CTSC | |
| SCHEMBL8201898 | 0.83 | CTSC (0.34) | GRIK1GRIA2CYP2C19CTSC | |
| SCHEMBL7137595 | 0.81 | CTSC (0.33) | CTSC | |
| SCHEMBL7143845 | 0.79 | POLB (0.39) | CTSC | |
| SCHEMBL7137589 | 0.79 | CTSC (0.41) | CTSC | |
| SCHEMBL642482 | 0.76 | GRIK1 (0.52) | GRIK1GRIA2CYP1A2CYP2D6ALOX15 | |
| SCHEMBL9298944 | 0.76 | GRIK1 (0.52) | GRIK1GRIA2CYP1A2CYP2D6ALOX15 | |
| SCHEMBL642481 | 0.76 | GRIK1 (0.52) | GRIK1GRIA2CYP1A2CYP2D6ALOX15 | |
| SCHEMBL7455717 | 0.76 | GRIK1 (0.52) | GRIK1GRIA2CYP1A2CYP2D6ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-6541638-B2 | (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction | HOFFMAN-LA ROCHE INC. | 2003-04-01 | — | — | US | disclosed |