Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 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 | |
|---|---|---|---|---|
| SCHEMBL9715955 | 0.80 | ASAH1 (0.38) | — | |
| SCHEMBL9715926 | 0.77 | CBX7 (0.47) | NPC1 | |
| SCHEMBL9715959 | 0.74 | POLB (0.33) | — | |
| SCHEMBL9715990 | 0.74 | NPC1 (0.57) | NPC1 | |
| SCHEMBL2149116 | 0.74 | SIGMAR1 (0.39) | GPR35NPC1NQO1 | |
| SCHEMBL9716001 | 0.69 | IDO1 (0.35) | NPC1 | |
| SCHEMBL31248706 | 0.68 | MAOB (0.38) | GPR35NQO1 | |
| SCHEMBL9716054 | 0.68 | MIF (0.46) | — | |
| SCHEMBL9716015 | 0.68 | AHR (0.33) | — | |
| SCHEMBL536696 | 0.67 | MAPK1 (0.62) | — |
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-5102898-A | Halosubstituted alkyne group; fungicides | ROHM AND HAAS COMPANY (US) | 1992-04-07 | — | — | US | disclosed |