Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 5/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.40 |
| ▸ | RBP1 | P09455 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1022005 | 0.76 | PTGS2 (0.55) | ALOX5PTGS2CYP3A4TYRTP53 | |
| SCHEMBL1021984 | 0.75 | PTGS2 (0.56) | ALOX5PTGS2CYP3A4TYRMEN1 | |
| SCHEMBL15488771 | 0.75 | PTGS2 (0.56) | ALOX5PTGS2CYP3A4TYRMEN1 | |
| SCHEMBL1022460 | 0.75 | PTGS2 (0.53) | ALOX5PTGS2CYP3A4TYRTP53 | |
| SCHEMBL1024824 | 0.75 | PTGS2 (0.48) | ALOX5PTGS2CYP3A4TYRMEN1 | |
| SCHEMBL1024805 | 0.75 | PTGS2 (0.53) | ALOX5PTGS2CYP3A4TYRTP53 | |
| SCHEMBL1021886 | 0.75 | ALOX5 (0.46) | ALOX5PTGS2CYP3A4TYRMEN1 | |
| SCHEMBL1021953 | 0.75 | PTGS2 (0.56) | ALOX5PTGS2CYP3A4TYRMEN1 | |
| SCHEMBL1021220 | 0.75 | PTGS2 (0.56) | ALOX5PTGS2CYP3A4TYRMEN1 | |
| SCHEMBL301480 | 0.75 | PTGS2 (0.56) | ALOX5PTGS2CYP3A4TYRMEN1 |
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-4485051-A | Preparation of 4-(α-hydrocarbyl-α-cyanomethyl)-2,6-di-substituted phenols | ETHYL CORPORATION (US) | 1984-11-27 | — | — | US | disclosed |