Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | HTR2C | P28335 | 4/20 | 0.35 |
| ▸ | HTR2B | P41595 | 4/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL188649 | 0.92 | HRH3 (0.40) | CHRM4CHRM5CHRM1CHRM3CHRM2 | |
| SCHEMBL5761963 | 0.78 | HRH3 (0.44) | CHRM3HRH3 | |
| SCHEMBL19575600 | 0.77 | CHRM4 (0.35) | MRGPRX2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL693535 | 0.76 | IKBKB (0.39) | — | |
| SCHEMBL2478239 | 0.74 | SLC6A4 (0.33) | SLC6A4 | |
| SCHEMBL2481875 | 0.74 | SLC6A4 (0.32) | SLC6A4 | |
| SCHEMBL18773712 | 0.72 | MRGPRX2 (0.40) | MRGPRX2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL19575604 | 0.67 | HTR2C (0.36) | CHRM4CHRM5CHRM1CHRM3HTR2C | |
| SCHEMBL3838774 | 0.67 | HRH3 (0.41) | HRH3 | |
| SCHEMBL187985 | 0.66 | QDPR (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2401281-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010098367-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |