Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 11/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | RXRA | P19793 | 9/20 | 0.34 |
| ▸ | RARG | P13631 | 10/20 | 0.34 |
| ▸ | RARA | P10276 | 9/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | RXRB | P28702 | 2/20 | 0.33 |
| ▸ | RXRG | P48443 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12813339 | 0.86 | RARB (0.42) | RARBCES2CES1CYP1A2RXRA | |
| SCHEMBL12813449 | 0.81 | RARB (0.41) | RARBCES2CES1CYP1A2RXRA | |
| SCHEMBL12813035 | 0.80 | HTT (0.49) | RARBCYP1A2RXRAALDH1A1MAPT | |
| SCHEMBL12813736 | 0.80 | TAS1R3 (0.40) | RARBRXRARARGRARAALDH1A1 | |
| SCHEMBL16499391 | 0.79 | RARB (0.40) | RARBRXRARARGRARA | |
| SCHEMBL8034537 | 0.79 | CYP1A2 (0.49) | RARBCYP1A2RXRARARGRARA | |
| SCHEMBL12813710 | 0.78 | CYP1A2 (0.41) | RARBCYP1A2RXRARARGRARA | |
| SCHEMBL16499346 | 0.78 | EPHX2 (0.40) | RARBRXRARARGRARAMAPK1 | |
| SCHEMBL12813465 | 0.77 | RARB (0.43) | RARBCYP1A2RXRARARGRARA | |
| SCHEMBL12813347 | 0.77 | ALDH1A1 (0.47) | RARBCES2CES1CYP1A2RXRA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012134971-A2 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | WO | disclosed |
| WO-2011155983-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS INC. (US) | 2011-12-15 | — | — | WO | disclosed |