Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8642971 | 1.00 | ALDH1A1 (0.33) | ALDH1A1PTGS2GRM2CYP1A2 | |
| SCHEMBL8645125 | 0.99 | CYP1A2 (0.31) | ALDH1A1CYP1A2 | |
| SCHEMBL8637758 | 0.95 | PTGS2 (0.36) | ALDH1A1PTGS2 | |
| SCHEMBL8636432 | 0.95 | PTGS2 (0.36) | ALDH1A1PTGS2 | |
| SCHEMBL8642880 | 0.95 | — | — | |
| SCHEMBL8642283 | 0.93 | PTGS2 (0.35) | ALDH1A1PTGS2 | |
| SCHEMBL8638646 | 0.91 | PTGS2 (0.38) | PTGS2 | |
| SCHEMBL8642159 | 0.89 | — | — | |
| SCHEMBL8639954 | 0.88 | PTGS2 (0.35) | ALDH1A1PTGS2 | |
| SCHEMBL8640917 | 0.85 | PKM (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0440082-B1 | Method for the conversion of fluorinated aromatic compounds using electrophiles | MERCK PATENT GMBH (DE) | 1998-04-15 | — | — | EP | disclosed |
| US-5262556-A | Alkylation or hydroxyalkylation by deprotonation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-11-16 | — | — | US | disclosed |
| EP-0440082-A2 | Method for the conversion of fluorinated aromatic compounds using electrophiles | MERCK PATENT GmbH (DE) | 1991-08-07 | — | — | EP | disclosed |