Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | MERTK | Q12866 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL9848134 | 0.80 | S1PR1 (0.41) | PTGS2PTGS1MERTKHTR6 | |
| SCHEMBL9848115 | 0.76 | PTGS2 (0.47) | PTGS2PTGS1PDE3A | |
| Hydrochloric Acid SCHEMBL9848186 | 0.72 | POLB (0.33) | — | |
| Hydrochloric Acid SCHEMBL9848207 | 0.70 | HRH3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9848200 | 0.70 | POLB (0.46) | — | |
| Hydrochloric Acid SCHEMBL9848111 | 0.70 | POLB (0.41) | — | |
| SCHEMBL5729040 | 0.70 | CHEK2 (0.48) | PTGS2PTGS1PDE3AMERTK | |
| Oxalic Acid SCHEMBL1443439 | 0.68 | POLB (0.51) | HTR6 | |
| SCHEMBL5729625 | 0.68 | CHEK2 (0.46) | PTGS2 | |
| SCHEMBL5729507 | 0.68 | CHEK2 (0.46) | PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0414391-A2 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-02-27 | — | — | EP | disclosed |