Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 3/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.34 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.34 |
| ▸ | STAT6 | P42226 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9302194 | 0.83 | ACHE (0.39) | ACHEHTR6HRH4PDE5AHRH1 | |
| SCHEMBL9302144 | 0.74 | GRM5 (0.39) | HRH4BRD4CREBBPOPRM1OPRD1 | |
| SCHEMBL9301180 | 0.69 | HTR6 (0.36) | ACHEHTR6HRH4PDE5AHRH1 | |
| SCHEMBL9301969 | 0.66 | GRM5 (0.42) | OPRM1OPRD1OPRK1OGFRL1 | |
| SCHEMBL9302252 | 0.65 | ACHE (0.42) | ACHEOPRM1OPRD1OGFRL1 | |
| SCHEMBL9303370 | 0.64 | ALDH1A1 (0.43) | HRH4 | |
| SCHEMBL9302522 | 0.62 | SIRT6 (0.47) | ACHEHTR6HRH4PDE5AJAK2 | |
| SCHEMBL7424713 | 0.58 | NPC1 (0.62) | EGFR | |
| SCHEMBL7970712 | 0.56 | NPC1 (0.62) | EGFR | |
| SCHEMBL906398 | 0.56 | RAB9A (0.62) | EGFR |
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 |
|---|---|---|---|---|---|---|---|
| US-5283248-A | Bactericides, enzyme inhibitor of DNA-gyrase in bacteria | HOFFMANN-LA ROCHE INC. (US) | 1994-02-01 | — | — | US | disclosed |