Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.40 |
| ▸ | EEF2K | O00418 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8582463 | 0.93 | CYP1A2 (0.48) | CYP1A2CYP2C9PTGS1PTGS2EEF2K | |
| SCHEMBL8585372 | 0.82 | CYP1A2 (0.45) | CYP1A2CYP2C9PTGS1PTGS2EEF2K | |
| SCHEMBL8583985 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP2C9PTGS1PTGS2EEF2K | |
| SCHEMBL8583892 | 0.79 | CYP1A2 (0.41) | CYP1A2CYP2C9PTGS1PTGS2EEF2K | |
| SCHEMBL8580319 | 0.78 | CYP1A2 (0.41) | CYP1A2CYP2C9PTGS1PTGS2EEF2K | |
| SCHEMBL8578798 | 0.76 | CYP1A2 (0.51) | CYP1A2CYP2C9PTGS1PTGS2EEF2K | |
| SCHEMBL8992131 | 0.76 | PTGS2 (0.48) | PTGS1PTGS2ALOX5GAA | |
| SCHEMBL8895623 | 0.76 | PTGS2 (0.48) | PTGS1PTGS2ALOX5GAA | |
| SCHEMBL8582530 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP2C9PTGS1PTGS2EEF2K | |
| SCHEMBL8580683 | 0.75 | ALDH1A1 (0.40) | CYP1A2GAA |
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-5731336-A | USING ARYL-SUBSTITUTED RHODAMINES | ELI LILLY AND COMPANY (US) | 1998-03-24 | — | — | US | disclosed |