Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | PPARA | Q07869 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.46 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.46 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24542738 | 0.87 | TRPV1 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24542732 | 0.86 | EPHX2 (0.56) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24542730 | 0.85 | PDK1 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24542766 | 0.82 | TRPV1 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24542718 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24543109 | 0.81 | PPARA (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24543289 | 0.81 | ALDH1A1 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24542749 | 0.80 | ABCC9 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24542758 | 0.79 | PPARA (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL24542725 | 0.79 | PPARA (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6 |
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-2022129933-A1 | MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 | Pandeia Therapeutics Limited (GB) | 2022-06-23 | — | — | WO | disclosed |