Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL27969609 | 0.82 | HTR2A (0.38) | — | |
| SCHEMBL27923863 | 0.74 | NPC1 (0.32) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL27945208 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL27885123 | 0.74 | KDM1A (0.33) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL27906005 | 0.74 | CRBN (0.33) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL27153146 | 0.74 | PNMT (0.38) | — | |
| SCHEMBL28322812 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL28241789 | 0.69 | — | — | |
| Formamide SCHEMBL28725518 | 0.69 | HTR2A (0.42) | — | |
| SCHEMBL20399183 | 0.68 | ALDH1A1 (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102083803-B | Oxocyclic substituted carboxylic acid derivatives and their use | BAYER IP GMBH | 2015-02-18 | — | — | CN | disclosed |
| CN-102134214-B | Isoindolone compounds and their use as metabotropic glutamate receptor potentiators | ASTRAZENECA AB | 2013-05-22 | — | — | CN | disclosed |
| CN-102083803-A | Oxocyclic substituted carboxylic acid derivatives and their use | BAYER SCHERING PHARMA AG | 2011-06-01 | — | — | CN | disclosed |
| CN-1894235-A | N-(4-carbamimidoyl-benzyl) -2-alkoxy-2-heterocyclyl acetamides as inhibitors of the formation of coagulation factors xa, ixa and thrombin induced by factor viia | HOFFMANN LA ROCHE (CH) | 2007-01-10 | — | — | CN | disclosed |