Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 10/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 3/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.39 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 3/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8873678 | 0.83 | CACNA1H (0.37) | CACNA1HCACNA1CCACNA1BGPR17CACNA1G | |
| SCHEMBL13090751 | 0.81 | NOS1 (0.45) | NOTUM | |
| SCHEMBL1331615 | 0.70 | NOS1 (0.56) | MAPTNOTUM | |
| SCHEMBL8569885 | 0.69 | KMO (0.41) | GPR17EGLN1MAOAMAOBNOTUM | |
| SCHEMBL2418890 | 0.68 | CACNA1H (0.41) | CACNA1HCACNA1CCACNA1BGPR17CACNA1G | |
| SCHEMBL7779818 | 0.68 | GRIN1 (0.46) | CACNA1HCACNA1CCACNA1BGPR17CACNA1G | |
| SCHEMBL29442143 | 0.68 | MAPT (0.54) | MAOAMAOBMAPT | |
| SCHEMBL10619033 | 0.68 | MAPT (0.54) | MAOAMAOBMAPT | |
| SCHEMBL8873358 | 0.67 | GPR17 (0.47) | CACNA1HCACNA1CCACNA1BGPR17CACNA1G | |
| SCHEMBL17260679 | 0.67 | NOS1 (0.56) | MAOAMAOB |
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-2024147972-A2 | DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF | THOMAS JEFFERSON UNIVERSITY (US) | 2024-07-11 | — | — | WO | disclosed |