Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 8/20 | 0.47 |
| ▸ | CASP7 | P55210 | 6/20 | 0.47 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.47 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.47 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.46 |
| ▸ | CASP9 | P55211 | 2/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29858069 | 1.00 | CASP3 (0.47) | CASP3CASP7CYSLTR1CYSLTR2CTRB1 | |
| SCHEMBL28824795 | 0.87 | KMT2A (0.49) | CYSLTR1CYSLTR2ALDH1A1CYP1A2 | |
| SCHEMBL29858159 | 0.87 | KMT2A (0.49) | CYSLTR1CYSLTR2ALDH1A1CYP1A2 | |
| SCHEMBL21467795 | 0.87 | KMT2A (0.49) | CYSLTR1CYSLTR2ALDH1A1CYP1A2 | |
| SCHEMBL21467676 | 0.85 | CYP1A2 (0.47) | CYSLTR1CYSLTR2CYP1A2 | |
| SCHEMBL29858135 | 0.85 | CYP1A2 (0.47) | CYSLTR1CYSLTR2CYP1A2 | |
| SCHEMBL28824775 | 0.85 | CYP1A2 (0.47) | CYSLTR1CYSLTR2CYP1A2 | |
| SCHEMBL28824792 | 0.85 | CYP1A2 (0.45) | CASP3CASP7CYSLTR1CYSLTR2ALDH1A1 | |
| SCHEMBL29858123 | 0.85 | CYP1A2 (0.45) | CASP3CASP7CYSLTR1CYSLTR2ALDH1A1 | |
| SCHEMBL21459042 | 0.82 | CYP1A2 (0.48) | CYSLTR1CYSLTR2ALDH1A1CYP1A2 |
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-109563045-B | Pd (II) -catalysed enantioselective beta-methylene C (sp) 3 ) -H bond activation | 斯克里普斯研究学院 | 2022-08-23 | — | — | CN | disclosed |