Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 4/20 | 0.33 |
| ▸ | RXRB | P28702 | 3/20 | 0.33 |
| ▸ | RXRG | P48443 | 3/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 2/20 | 0.33 |
| ▸ | RARB | P10826 | 2/20 | 0.33 |
| ▸ | RARG | P13631 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL16499385 | 0.88 | CES2 (0.44) | MAPK14MAPK13MAPK12MAPK11RXRA | |
| SCHEMBL12813015 | 0.81 | NPC1 (0.41) | RXRARARARARBRARGCES2 | |
| SCHEMBL11372909 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL2560228 | 0.74 | CES2 (0.50) | HDAC4MAPK14MAPK13MAPK12MAPK11 | |
| SCHEMBL16499290 | 0.70 | SRD5A2 (0.41) | RXRAELANECES2CES1 | |
| SCHEMBL16499464 | 0.69 | NPC1 (0.40) | RXRARARARARBRARGCES2 | |
| SCHEMBL16499005 | 0.68 | HPGD (0.45) | CES2CES1KDM4ELMNA | |
| SCHEMBL16499387 | 0.68 | HDAC4 (0.34) | HDAC4 | |
| SCHEMBL6641316 | 0.67 | OAT (0.37) | RXRARXRBRXRGLMNA | |
| SCHEMBL8845805 | 0.66 | LMNA (0.54) | MAPK14F2PLAUELANECES2 |
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 |