Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KAT2B | Q92831 | 4/20 | 0.30 |
| ▸ | ALPL | P05186 | 1/20 | 0.30 |
| ▸ | ALPI | P09923 | 1/20 | 0.30 |
| ▸ | ALPG | P10696 | 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 | |
|---|---|---|---|---|
| SCHEMBL19286179 | 1.00 | ALDH1A1 (0.34) | ALDH1A1HTTNPC1MEN1KMT2A | |
| SCHEMBL19286178 | 0.85 | ALDH1A1 (0.35) | ALDH1A1HTTNPC1MEN1KMT2A | |
| SCHEMBL19286285 | 0.84 | ALDH1A1 (0.34) | ALDH1A1HTTNPC1MEN1KMT2A | |
| SCHEMBL19286265 | 0.84 | ALDH1A1 (0.35) | ALDH1A1HTTNPC1 | |
| SCHEMBL19286191 | 0.82 | ALDH1A1 (0.35) | ALDH1A1HTTNPC1MEN1KMT2A | |
| SCHEMBL19286188 | 0.78 | MAPT (0.42) | ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL19286229 | 0.76 | KAT2B (0.37) | KAT2B | |
| SCHEMBL17470109 | 0.76 | ALDH1A1 (0.33) | ALDH1A1HTTNPC1 | |
| SCHEMBL17470121 | 0.76 | ALDH1A1 (0.33) | ALDH1A1HTTNPC1 | |
| SCHEMBL19286272 | 0.76 | RECQL (0.32) | ALDH1A1NPC1MEN1KMT2AALPL |
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-9744528-B2 | Metallorganocatalysis for asymmetric transformations | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-08-29 | — | — | US | disclosed |