Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 15/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28442164 | 0.97 | HTR6 (0.53) | HTR6CYP3A4CYP2D6PTGDR2PPARG | |
| SCHEMBL28440267 | 0.88 | HTR6 (0.52) | HTR6CYP3A4CYP2D6PTGDR2PPARG | |
| SCHEMBL28442103 | 0.88 | HTR6 (0.53) | HTR6PPARGPPARDPPARAALK | |
| SCHEMBL28437836 | 0.84 | HTR6 (0.53) | HTR6PPARGPPARDPPARAALK | |
| SCHEMBL16595062 | 0.84 | HTR6 (0.59) | HTR6PPARGPPARDPPARAALK | |
| SCHEMBL9949223 | 0.82 | HTR6 (0.57) | HTR6CYP3A4CYP2D6PTGDR2ALK | |
| SCHEMBL9948582 | 0.82 | HTR6 (0.54) | HTR6CYP3A4CYP2D6PTGDR2ALK | |
| SCHEMBL26983486 | 0.81 | HTR6 (0.60) | HTR6PPARGPPARDPPARAALK | |
| SCHEMBL28436683 | 0.80 | PTGDR2 (0.47) | HTR6CYP3A4CYP2D6PTGDR2ALK | |
| SCHEMBL31366263 | 0.78 | HTR6 (0.56) | HTR6PPARGPPARDPPARAALK |
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 |
|---|---|---|---|---|---|---|---|
| CN-111533738-A | Compound containing indole structure or pharmaceutically acceptable salt thereof, preparation method and application | 中国药科大学 | 2020-08-14 | — | — | CN | disclosed |