Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 1/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9321625 | 0.83 | ESR1 (0.44) | PTGS1PTGS2EGFRMAOBLMNA | |
| SCHEMBL1506756 | 0.82 | EGFR (0.54) | EPHX1ADH1BADH1CADH1AADH4 | |
| SCHEMBL10628483 | 0.81 | EGFR (0.56) | EPHX1ADH1BADH1CADH1AADH4 | |
| SCHEMBL27636014 | 0.81 | EGFR (0.56) | EPHX1ADH1BADH1CADH1AADH4 | |
| SCHEMBL10623848 | 0.81 | EGFR (0.56) | EPHX1ADH1BADH1CADH1AADH4 | |
| SCHEMBL27881206 | 0.80 | ALDH1A1 (0.49) | ALOX5PTGS1PTGS2TUBB1CYP1A2 | |
| SCHEMBL10628647 | 0.77 | HDAC3 (0.51) | ADH1BADH1CADH1AADH7TUBB1 | |
| SCHEMBL28375109 | 0.76 | CA2 (0.45) | EPHX1ADH1BADH1CADH1AADH4 | |
| SCHEMBL23181695 | 0.74 | ALOX5 (0.47) | ALOX5PTGS1PTGS2TUBB1SMN1; SMN2 | |
| SCHEMBL6546261 | 0.72 | ALOX5 (0.63) | ALOX5PTGS1PTGS2TUBB1SMN1; SMN2 |
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-108623425-B | Method for constructing four-membered ring by visible light catalysis [2+2] reaction | 中国科学院理化技术研究所 | 2021-05-14 | — | — | CN | disclosed |