Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPS1 | P31327 | 17/20 | 0.62 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23389521 | 0.77 | CPS1 (1.00) | CPS1 | |
| SCHEMBL29824806 | 0.77 | CPS1 (1.00) | CPS1 | |
| SCHEMBL29825180 | 0.77 | CPS1 (1.00) | CPS1 | |
| SCHEMBL23389194 | 0.77 | CPS1 (1.00) | CPS1 | |
| SCHEMBL7871468 | 0.75 | CPS1 (0.57) | CPS1MTOR | |
| SCHEMBL7876941 | 0.71 | CPS1 (0.56) | CPS1MTOR | |
| SCHEMBL20460504 | 0.71 | HPGD (0.59) | CPS1ALDH1A1HPGD | |
| SCHEMBL7870105 | 0.70 | CPS1 (0.55) | CPS1MTORALDH1A1 | |
| SCHEMBL18010744 | 0.70 | CPS1 (0.57) | CPS1CNR1ALDH1A1 | |
| SCHEMBL7878686 | 0.70 | CPS1 (0.60) | CPS1CNR1ALDH1A1HPGD |
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-2010122069-A1 | 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-28 | — | — | WO | disclosed |