Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.42 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 5/20 | 0.40 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11779017 | 0.92 | ITGB1 (0.42) | ITGB1ITGA4LTA4HITGB7ACE | |
| SCHEMBL11777095 | 0.89 | ITGB3 (0.50) | ACACBITGB1ITGA4CHRM2LTA4H | |
| SCHEMBL11780603 | 0.89 | ITGB3 (0.50) | ACACBITGB1ITGA4CHRM2LTA4H | |
| SCHEMBL11776403 | 0.86 | CHRM2 (0.46) | ACACBITGB1ITGA4CHRM2HRH3 | |
| SCHEMBL11778492 | 0.85 | HRH3 (0.53) | ACACBITGB1ITGA4CHRM2LTA4H | |
| SCHEMBL11775291 | 0.84 | ITGB3 (0.52) | ITGB1ITGA4CHRM2ACEHRH3 | |
| SCHEMBL11773882 | 0.84 | MCHR1 (0.50) | ACACBITGB1ITGA4CHRM2HRH3 | |
| SCHEMBL11777766 | 0.84 | CHRM2 (0.49) | ACACBITGB1ITGA4CHRM2HRH3 | |
| SCHEMBL11777823 | 0.84 | CHRM2 (0.51) | ACACBITGB1ITGA4CHRM2HRH3 | |
| SCHEMBL11775911 | 0.84 | CHRM2 (0.51) | ACACBITGB1ITGA4CHRM2HRH3 |
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 |