Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | EEF2K | O00418 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8585037 | 0.90 | CYP1A2 (0.47) | CYP1A2CYP2C9PTGS1PTGS2ALOX5 | |
| SCHEMBL8580606 | 0.89 | CYP1A2 (0.46) | CYP1A2CYP2C9PTGS1PTGS2ALOX5 | |
| SCHEMBL8583755 | 0.87 | CYP1A2 (0.44) | CYP1A2CYP2C9PTGS1PTGS2ALOX5 | |
| SCHEMBL8580798 | 0.86 | CYP1A2 (0.48) | CYP1A2CYP2C9PTGS1PTGS2ALOX5 | |
| SCHEMBL8580278 | 0.86 | CYP1A2 (0.43) | CYP1A2CYP2C9PTGS1PTGS2ALOX5 | |
| SCHEMBL8583360 | 0.86 | CYP1A2 (0.43) | CYP1A2CYP2C9PTGS1PTGS2ALOX5 | |
| SCHEMBL8580526 | 0.86 | CYP1A2 (0.43) | CYP1A2CYP2C9PTGS1PTGS2ALOX5 | |
| SCHEMBL8582876 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP2C9PTGS1PTGS2ALOX5 | |
| SCHEMBL8581664 | 0.84 | CYP1A2 (0.41) | CYP1A2CYP2C9PTGS1PTGS2ALOX5 | |
| SCHEMBL8580694 | 0.83 | CYP1A2 (0.45) | CYP1A2CYP2C9PTGS1PTGS2ALOX5 |
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 |