Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 3/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6221771 | 1.00 | HTR2B (0.37) | HTR2BTMEM97ATML3MBTL1SIGMAR1 | |
| SCHEMBL15416227 | 0.83 | OPRM1 (0.30) | OPRM1 | |
| SCHEMBL5800638 | 0.80 | GAA (0.40) | L3MBTL1SIGMAR1CHRM2CHRM3HTR2A | |
| SCHEMBL26101147 | 0.79 | SIGMAR1 (0.36) | SIGMAR1 | |
| SCHEMBL27568268 | 0.79 | SIGMAR1 (0.39) | SIGMAR1KCNH2 | |
| SCHEMBL28752477 | 0.78 | SIGMAR1 (0.40) | SIGMAR1KAT2B | |
| SCHEMBL27586657 | 0.78 | SIGMAR1 (0.40) | SIGMAR1KAT2B | |
| SCHEMBL15825704 | 0.75 | — | — | |
| SCHEMBL5801362 | 0.75 | HTR3E (0.37) | L3MBTL1SIGMAR1IRAK4KCNH2HRH3 | |
| SCHEMBL29490572 | 0.72 | GAA (0.36) | KAT2BHRH1HTR6CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3246327-A1 | 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF | Si Chuan University (CN) | 2017-11-22 | — | — | EP | disclosed |