Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SPR | P35270 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL31458552 | 0.88 | — | — | |
| SCHEMBL29955988 | 0.75 | — | — | |
| SCHEMBL18780818 | 0.74 | — | — | |
| SCHEMBL883443 | 0.69 | — | — | |
| SCHEMBL1757748 | 0.69 | NPC1 (0.47) | L3MBTL1ALDH1A1 | |
| SCHEMBL27315111 | 0.63 | GAA (0.53) | NPSR1MAPK1KDM4CALDH1A1 | |
| SCHEMBL5270576 | 0.61 | NPSR1 (0.35) | NPSR1CHRM3TSHRMAPK1KDM4C | |
| SCHEMBL27647692 | 0.61 | CHRM3 (0.44) | CHRM3TSHRUSP2L3MBTL1SLC6A2 | |
| SCHEMBL5865621 | 0.61 | — | — | |
| SCHEMBL4921085 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5750690-A | HYDROGENATION OF A 1,2-DIALKYLOXO-3-CARBOXY-3-PYRAZOLINE OR 1,2,5,6-TETRAHYDROPYRIDAZINE OR DERIVATIVE; INTERMEDIATES FOR THE HYPOTENSIVE AGENT, ?CILAZAPRIL? | HOFFMANN-LA ROCHE INC. (US) | 1998-05-12 | — | — | US | disclosed |