Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CHAT | P28329 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28194304 | 0.75 | MAOB (0.59) | RELAALDH1A1GRM5MAOBLMNA | |
| (Z)-1,2-Diphenylethene SCHEMBL817116 | 0.73 | ALDH1A1 (0.53) | ALDH1A1TSHRMAOBCYP2A6LMNA | |
| SCHEMBL169417 | 0.72 | RELA (0.46) | RELAALDH1A1TSHRGRM5MAOB | |
| (Z)-1,2-Diphenylethene SCHEMBL27459562 | 0.69 | RELA (0.68) | RELAALDH1A1GRM5MAOBCHAT | |
| Trimethylammonium SCHEMBL27686011 | 0.69 | RELA (0.48) | RELAALDH1A1TSHRGRM5MAOB | |
| SCHEMBL3949316 | 0.69 | — | — | |
| SCHEMBL952396 | 0.68 | RELA (0.54) | RELAALDH1A1GRM5MAOBLMNA | |
| SCHEMBL81307 | 0.68 | RELA (0.54) | RELAALDH1A1GRM5MAOBLMNA | |
| SCHEMBL6330348 | 0.67 | MAOB (0.56) | ALDH1A1TSHRMAOBCYP2A6LMNA | |
| SCHEMBL6330351 | 0.67 | MAOB (0.56) | ALDH1A1TSHRMAOBCYP2A6LMNA |
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-1737868-B1 | STEREOSELECTIVE METHOD FOR THE PRODUCTION OF CLOPIDOGREL | RATIOPHARM GMBH (DE) | 2008-02-27 | — | — | EP | disclosed |