Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LSS | P48449 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11775436 | 0.85 | ITGB3 (0.51) | ITGB3ITGA2BRAB9AHRH3 | |
| SCHEMBL11774229 | 0.84 | CA2 (0.49) | CA2NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL11773882 | 0.81 | MCHR1 (0.50) | ITGB3ITGA2BCA2RAB9AHRH3 | |
| SCHEMBL11775911 | 0.81 | CHRM2 (0.51) | ITGB3ITGA2BPPARGNPC1RAB9A | |
| SCHEMBL11779017 | 0.81 | ITGB1 (0.42) | ITGB3ITGA2BPPARG | |
| SCHEMBL11777823 | 0.81 | CHRM2 (0.51) | ITGB3ITGA2BPPARGNPC1RAB9A | |
| SCHEMBL11777766 | 0.81 | CHRM2 (0.49) | ITGB3ITGA2BPPARGRAB9AHRH3 | |
| SCHEMBL11776877 | 0.80 | ITGB3 (0.50) | ITGB3ITGA2BRAB9AHRH3 | |
| SCHEMBL11777095 | 0.80 | ITGB3 (0.50) | ITGB3ITGA2BRAB9AHRH3 | |
| SCHEMBL11780603 | 0.80 | ITGB3 (0.50) | ITGB3ITGA2BRAB9AHRH3 |
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-4004008-A | ANTISPASMODIC, VASODILATION | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1977-01-18 | — | — | US | disclosed |