Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | EBP | Q15125 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | AGER | Q15109 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL11777823 | 1.00 | CHRM2 (0.51) | CHRM2HRH3ACACBEBPSIGMAR1 | |
| SCHEMBL11773882 | 0.92 | MCHR1 (0.50) | CHRM2HRH3ACACBMCHR1ITGB3 | |
| SCHEMBL11777766 | 0.91 | CHRM2 (0.49) | CHRM2HRH3ACACBEBPSIGMAR1 | |
| SCHEMBL11780603 | 0.91 | ITGB3 (0.50) | CHRM2HRH3ACACBITGB3ITGA2B | |
| SCHEMBL11777095 | 0.91 | ITGB3 (0.50) | CHRM2HRH3ACACBITGB3ITGA2B | |
| SCHEMBL11776465 | 0.90 | CHRM2 (0.48) | CHRM2HRH3ACACBMCHR1ITGB3 | |
| SCHEMBL11779573 | 0.89 | CHRM2 (0.54) | CHRM2HRH3ACACBEBPSIGMAR1 | |
| SCHEMBL11776403 | 0.88 | CHRM2 (0.46) | CHRM2HRH3ACACBEBPSIGMAR1 | |
| SCHEMBL11778492 | 0.88 | HRH3 (0.53) | CHRM2HRH3ACACBITGB3ITGA2B | |
| SCHEMBL11775291 | 0.87 | ITGB3 (0.52) | CHRM2HRH3ITGB3ITGA2BRAB9A |
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-4004008-A | ANTISPASMODIC, VASODILATION | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1977-01-18 | — | — | US | claimed |
| US-4004008-A | ANTISPASMODIC, VASODILATION | ROTTA RESEARCH LABORATORIUM S.P.A. (IT) | 1977-01-18 | — | — | US | disclosed |