Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL13955565 | 0.81 | ALDH1A1 (0.48) | ALDH1A1ALOX15RECQLHSD17B10TDP1 | |
| SCHEMBL24038422 | 0.79 | ALDH1A1 (0.37) | ALDH1A1ALOX15RECQLHSD17B10TDP1 | |
| SCHEMBL12784496 | 0.78 | — | — | |
| SCHEMBL18900142 | 0.78 | ALDH1A1 (0.42) | ALDH1A1ALOX15RECQLHSD17B10TDP1 | |
| SCHEMBL14380224 | 0.77 | ALDH1A1 (0.50) | ALDH1A1ALOX15RECQLHSD17B10TDP1 | |
| SCHEMBL18463822 | 0.75 | — | — | |
| SCHEMBL20808343 | 0.75 | — | — | |
| SCHEMBL13794277 | 0.73 | — | — | |
| SCHEMBL14679559 | 0.73 | — | — | |
| SCHEMBL14039733 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012003418-A2 | FUNCTIONALLY SELECTIVE LIGANDS OF DOPAMINE D2 RECEPTORS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2012-01-05 | — | — | WO | disclosed |