Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19286250 | 0.82 | HTT (0.40) | ALDH1A1ALOX12HTTEPHX2 | |
| SCHEMBL19286301 | 0.82 | HTT (0.40) | ALDH1A1ALOX12HTTEPHX2 | |
| SCHEMBL19286180 | 0.81 | ALDH1A1 (0.36) | ALDH1A1ALOX12RECQLHTTEPHX2 | |
| SCHEMBL19286297 | 0.81 | HTT (0.41) | ALDH1A1ALOX12HTTEPHX2 | |
| SCHEMBL19286246 | 0.81 | MAPT (0.52) | ALDH1A1HTT | |
| SCHEMBL19286274 | 0.77 | ALPL (0.31) | — | |
| SCHEMBL19286264 | 0.76 | ALDH1A1 (0.36) | ALDH1A1ALOX12RECQLHTT | |
| SCHEMBL19286265 | 0.74 | ALDH1A1 (0.35) | ALDH1A1ALOX12RECQLHTT | |
| SCHEMBL19286275 | 0.73 | MAPT (0.43) | ALDH1A1ALOX12HTT | |
| SCHEMBL19286220 | 0.72 | KDM4E (0.36) | — |
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 |