Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 7/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.57 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | HRH2 | P25021 | 2/20 | 0.57 |
| ▸ | HRH1 | P35367 | 2/20 | 0.57 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3678408 | 1.00 | TMEM97 (0.57) | TMEM97SIGMAR1HRH3HTR1AHRH2 | |
| SCHEMBL5103812 | 0.96 | CHRM1 (0.61) | TMEM97SIGMAR1HRH3HTR1AHRH2 | |
| SCHEMBL29138124 | 0.95 | SMN1; SMN2 (0.56) | TMEM97SIGMAR1HRH3HTR1AHRH2 | |
| SCHEMBL30773875 | 0.91 | SMN1; SMN2 (0.61) | TMEM97SIGMAR1HRH3HTR1AHRH2 | |
| SCHEMBL14529819 | 0.91 | SMN1; SMN2 (0.61) | TMEM97SIGMAR1HRH3HTR1AHRH2 | |
| SCHEMBL28412948 | 0.89 | SMN1; SMN2 (0.53) | TMEM97SIGMAR1HRH3HTR1AHRH2 | |
| SCHEMBL28412743 | 0.89 | SMN1; SMN2 (0.53) | TMEM97SIGMAR1HRH3HTR1AHRH2 | |
| SCHEMBL30668752 | 0.89 | SMN1; SMN2 (0.53) | TMEM97SIGMAR1HRH3HTR1AHRH2 | |
| SCHEMBL28414366 | 0.88 | TMEM97 (0.52) | TMEM97SIGMAR1HRH3HTR1AHRH2 | |
| SCHEMBL519496 | 0.88 | SMN1; SMN2 (0.50) | TMEM97SIGMAR1HRH3HTR1AHRH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020247298-A2 | 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2020-12-10 | — | — | WO | disclosed |