Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.35 |
| ▸ | RARG | P13631 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16499475 | 0.88 | HDAC4 (0.39) | CES2CES1RARARARBRARG | |
| SCHEMBL12813015 | 0.80 | NPC1 (0.41) | CES2CES1KMT2ARAB9ARARA | |
| SCHEMBL11372909 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL13291390 | 0.71 | CES2 (0.74) | CES2CES1HTTKMT2AL3MBTL1 | |
| SCHEMBL6641316 | 0.68 | OAT (0.37) | RXRA | |
| SCHEMBL16499290 | 0.68 | SRD5A2 (0.41) | CES2CES1HTTRXRA | |
| SCHEMBL16499464 | 0.67 | NPC1 (0.40) | CES2CES1KMT2ARAB9ARARA | |
| SCHEMBL16499576 | 0.67 | CES2 (0.36) | CES2CES1 | |
| SCHEMBL16499005 | 0.66 | HPGD (0.45) | CES2CES1KMT2ARAB9ANPC1 | |
| SCHEMBL7612594 | 0.66 | CES2 (0.71) | CES2CES1HTTKMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011155983-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS INC. (US) | 2011-12-15 | — | — | WO | disclosed |