Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28608175 | 0.78 | KDM4E (0.30) | ALDH1A1 | |
| SCHEMBL9765894 | 0.77 | — | — | |
| SCHEMBL1851448 | 0.77 | DHFR (0.37) | — | |
| SCHEMBL28924360 | 0.77 | NPSR1 (0.30) | — | |
| SCHEMBL1851187 | 0.72 | — | — | |
| SCHEMBL1101233 | 0.70 | PKM (0.50) | ALDH1A1 | |
| SCHEMBL11565152 | 0.70 | KMT2A (0.44) | ALDH1A1 | |
| SCHEMBL10912480 | 0.70 | NPSR1 (0.41) | ALDH1A1 | |
| SCHEMBL1855443 | 0.69 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL2936659 | 0.68 | ALDH1A1 (0.46) | ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0763032-B1 | PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE | MERCK & CO INC (US) | 2003-10-15 | — | — | EP | disclosed |
| EP-0763032-A1 | PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE | MERCK & CO. INC. (US) | 1997-03-19 | — | — | EP | disclosed |
| US-5567824-A | CATALYZING THE CYCLIZATION IN PRESENCE OF A SOLVENT AND A PROTON ACCEPTOR | MERCK & CO., INC. (US) | 1996-10-22 | — | — | US | disclosed |
| WO-1995032197-A1 | PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE | MERCK & CO., INC. (US) | 1995-11-30 | — | — | WO | disclosed |