Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | FABP2 | P12104 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12813015 | 0.84 | NPC1 (0.41) | MAPK1HPGDTDP1CES2CES1 | |
| SCHEMBL11372909 | 0.81 | ALDH1A1 (0.31) | TDP1 | |
| SCHEMBL12813381 | 0.71 | RARB (0.41) | SRD5A2MAPK1HPGDTDP1CES2 | |
| SCHEMBL16499464 | 0.71 | NPC1 (0.40) | MAPK1HPGDTDP1CES2CES1 | |
| SCHEMBL16499385 | 0.68 | CES2 (0.44) | CES2CES1HTTRXRA | |
| SCHEMBL9065412 | 0.66 | SRD5A2 (0.80) | SRD5A2MAPK1HPGDCES2CES1 | |
| SCHEMBL1681512 | 0.66 | SRD5A2 (0.80) | SRD5A2MAPK1HPGDCES2CES1 | |
| SCHEMBL51827 | 0.66 | SRD5A2 (0.80) | SRD5A2MAPK1HPGDCES2CES1 | |
| SCHEMBL10697158 | 0.66 | SRD5A2 (0.80) | SRD5A2MAPK1HPGDCES2CES1 | |
| SCHEMBL11519504 | 0.66 | HSD17B3 (0.34) | HPGDTDP1ALOX15TSHR |
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 |