Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 3/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | STAT3 | P40763 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15857988 | 0.82 | CHRM4 (0.43) | CHRM4CHRM1CHRM2CHRM5CHRM3 | |
| SCHEMBL19003542 | 0.81 | CHRM4 (0.43) | CHRM4CHRM1CHRM2CHRM5CHRM3 | |
| SCHEMBL19003623 | 0.80 | CHRM4 (0.41) | CHRM4CHRM1CHRM2CHRM5CHRM3 | |
| SCHEMBL17897244 | 0.78 | CHRM4 (0.41) | CHRM4CHRM1CHRM2CHRM5CHRM3 | |
| SCHEMBL6927953 | 0.77 | HTT (0.51) | — | |
| SCHEMBL18334275 | 0.71 | SMN1; SMN2 (0.53) | — | |
| SCHEMBL15857990 | 0.71 | ESR1 (0.45) | — | |
| SCHEMBL82864 | 0.70 | DHFR (0.39) | CHRM1JAK2ABL1KDRSTAT3 | |
| SCHEMBL19035671 | 0.69 | GRM1 (0.46) | CHRM4CHRM1GSK3B | |
| SCHEMBL18334112 | 0.68 | HRH4 (0.41) | JAK2TRPV1OPRK1 |
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-9676780-B2 | Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties | MERCK SHARP & DOHME CORP. (US) | 2017-06-13 | — | — | US | disclosed |