Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.32 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL22978520 | 0.86 | S1PR1 (0.40) | S1PR1ALDH1A1HTTS1PR3L3MBTL1 | |
| SCHEMBL22978633 | 0.85 | BCL6 (0.36) | — | |
| SCHEMBL22978619 | 0.80 | CYP1A2 (0.37) | S1PR1ALDH1A1HTTS1PR3AOC3 | |
| SCHEMBL24509871 | 0.79 | ALDH1A1 (0.36) | ALDH1A1HTTL3MBTL1KCNQ3KCNQ2 | |
| SCHEMBL22978614 | 0.79 | HTT (0.36) | ALDH1A1HTTL3MBTL1KCNQ3KCNQ2 | |
| SCHEMBL22978524 | 0.79 | HTT (0.36) | ALDH1A1HTTL3MBTL1KCNQ3KCNQ2 | |
| SCHEMBL21045724 | 0.72 | KCNQ3 (0.44) | S1PR1ALDH1A1HTTL3MBTL1KCNQ3 | |
| SCHEMBL22978591 | 0.72 | SMN1; SMN2 (0.38) | ALDH1A1HTTL3MBTL1KCNQ3KCNQ2 | |
| SCHEMBL22978550 | 0.70 | PDE4A (0.37) | ALDH1A1HTTPTGS1 | |
| SCHEMBL29698261 | 0.70 | PDE4A (0.37) | ALDH1A1HTTPTGS1 |
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-2021026672-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |