Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29652344 | 1.00 | GRM4 (0.33) | GRM4ALDH1A1AR | |
| SCHEMBL91320 | 1.00 | GRM4 (0.33) | GRM4ALDH1A1AR | |
| SCHEMBL13557475 | 1.00 | GRM4 (0.33) | GRM4ALDH1A1AR | |
| SCHEMBL11572951 | 0.96 | GRM4 (0.32) | GRM4ALDH1A1 | |
| SCHEMBL11572873 | 0.96 | GRM4 (0.32) | GRM4ALDH1A1 | |
| SCHEMBL59485 | 0.96 | GRM4 (0.32) | GRM4ALDH1A1 | |
| SCHEMBL20489359 | 0.96 | GRM4 (0.32) | GRM4ALDH1A1 | |
| SCHEMBL819984 | 0.96 | GRM4 (0.32) | GRM4ALDH1A1 | |
| SCHEMBL11572868 | 0.96 | GRM4 (0.32) | GRM4ALDH1A1 | |
| SCHEMBL11571833 | 0.92 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4146552-A | Dehydrogenation of cis-1,2-dicyanocycloalkane | PHILLIPS PETROLEUM COMPANY (US) | 1979-03-27 | — | — | US | claimed |
| US-4146552-A | Dehydrogenation of cis-1,2-dicyanocycloalkane | PHILLIPS PETROLEUM COMPANY (US) | 1979-03-27 | — | — | US | disclosed |