Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.42 |
| ▸ | TYR | P14679 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | CTSG | P08311 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27464077 | 0.81 | ALDH1A1 (0.44) | TYRALDH1A1TDP1TRPV1MAPT | |
| SCHEMBL28807252 | 0.80 | TYR (0.45) | ERN1TYRTDP1MAPTELANE | |
| SCHEMBL2033848 | 0.79 | ERN1 (0.41) | ERN1ALDH1A1TDP1MAPT | |
| SCHEMBL27302058 | 0.79 | ALDH1A1 (0.34) | ERN1TYRALDH1A1TDP1TRPV1 | |
| SCHEMBL5697149 | 0.77 | CYSLTR2 (0.43) | ERN1TYRALDH1A1TDP1MAPT | |
| SCHEMBL27462004 | 0.77 | TYR (0.42) | ERN1TYRALDH1A1TDP1MAPT | |
| SCHEMBL1123246 | 0.77 | TYR (0.46) | TYRALDH1A1TDP1TRPV1MAPT | |
| SCHEMBL27843394 | 0.77 | TYR (0.46) | ERN1TYRTDP1MAPTELANE | |
| SCHEMBL27628607 | 0.76 | CTRC (0.41) | ERN1TYRTDP1MAPTELANE | |
| SCHEMBL5586776 | 0.74 | TYR (0.39) | TYRALDH1A1TDP1TRPV1MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102186818-B | 7-(piperazine-1-ymethyl)-1h-indole-2-carboxylic acid (phenyl)-amide derivatives and allied compounds as p38 map kinase inhibitors for the treatment of respiratory diseases | BOEHRINGER INGELHEIM INT | 2013-10-02 | — | — | CN | disclosed |
| CN-101896473-B | Inhibitors of stearoyl-coa desaturase | HOFFMANN LA ROCHE | 2012-07-25 | — | — | CN | disclosed |
| CN-102203064-A | Novel benzamides, their preparation and their use as medicaments | BOEHRINGER INGELHEIM INT | 2011-09-28 | — | — | CN | disclosed |
| CN-102186818-A | 7-(piperazine-1-ymethyl)-1h-indole-2-carboxylic acid (phenyl)-amide derivatives and allied compounds as p38 map kinase inhibitors for the treatment of respiratory diseases | BOEHRINGER INGELHEIM INT | 2011-09-14 | — | — | CN | disclosed |
| CN-101896473-A | Inhibitors of stearoyl-coa desaturase | HOFFMANN LA ROCHE | 2010-11-24 | — | — | CN | disclosed |