Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 9/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR1E | P28566 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19946670 | 1.00 | TMEM97 (0.39) | TMEM97SIGMAR1HTR1AADRA2AADRA2B | |
| SCHEMBL31106303 | 0.81 | PSEN1 (0.41) | SLC6A4PARP1 | |
| SCHEMBL19960792 | 0.80 | SMN1; SMN2 (0.45) | TMEM97SIGMAR1HTR1AADRA2AADRA2B | |
| SCHEMBL5592319 | 0.79 | TMEM97 (0.43) | TMEM97SIGMAR1HTR1AADRA2AADRA2B | |
| SCHEMBL5592397 | 0.77 | TMEM97 (0.47) | TMEM97SIGMAR1HTR1AADRA2AADRA2B | |
| SCHEMBL21800330 | 0.76 | TMEM97 (0.60) | TMEM97SIGMAR1HTR1AADRA2AADRA2B | |
| SCHEMBL5836154 | 0.76 | MEN1 (0.53) | TMEM97SIGMAR1HTR1AADRA2AADRA2B | |
| SCHEMBL1949475 | 0.76 | HPGD (0.56) | TMEM97SIGMAR1HTR1AADRA2AADRA2B | |
| SCHEMBL28437194 | 0.75 | HDAC1 (0.41) | PARP1 | |
| SCHEMBL3322484 | 0.75 | YAP1 (0.49) | HRH1HRH3GPR119 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111333627-B | Substituted 2-hydro-pyrazole derivatives as anticancer agents | 正大天晴药业集团股份有限公司 | 2024-09-13 | — | — | CN | disclosed |