Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPS1 | P31327 | 16/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.41 |
| ▸ | CCR5 | P51681 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7876941 | 0.87 | CPS1 (0.56) | CPS1MTOR | |
| SCHEMBL17400807 | 0.84 | CPS1 (0.54) | CPS1MTORMAP2K2MAP2K1 | |
| SCHEMBL17400771 | 0.80 | CPS1 (0.52) | CPS1MTORMAP2K2MAP2K1 | |
| SCHEMBL20460502 | 0.76 | HPGD (0.58) | CPS1MAP2K2MAP2K1 | |
| SCHEMBL17400772 | 0.75 | CPS1 (0.56) | CPS1MAP2K2MAP2K1 | |
| SCHEMBL17400787 | 0.73 | MAP2K2 (0.60) | CPS1MAP2K2MAP2K1 | |
| SCHEMBL17400779 | 0.72 | CACNA1H (0.49) | MTOR | |
| SCHEMBL16259102 | 0.71 | ACHE (0.53) | — | |
| SCHEMBL21516880 | 0.71 | MAP2K1 (0.50) | CPS1MAP2K2MAP2K1 | |
| SCHEMBL17400776 | 0.71 | MEN1 (0.48) | MTOR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2421846-B1 | 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INT (DE) | 2016-01-06 | — | — | EP | disclosed |