Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14637215 | 0.89 | POLB (0.40) | ARSLC6A2SLC6A4SLC6A3TP53 | |
| SCHEMBL16670800 | 0.86 | AR (0.38) | ARSLC6A2SLC6A4SLC6A3TP53 | |
| SCHEMBL20594652 | 0.80 | GABRR1 (0.31) | — | |
| SCHEMBL20594793 | 0.80 | GABRR1 (0.31) | — | |
| SCHEMBL17632736 | 0.80 | GABRR1 (0.31) | — | |
| SCHEMBL22052654 | 0.78 | EPHX1 (0.38) | SMN1; SMN2CHRM2CHRM3 | |
| SCHEMBL17643794 | 0.78 | EPHX1 (0.38) | SMN1; SMN2CHRM2CHRM3 | |
| SCHEMBL20898623 | 0.78 | EPHX1 (0.38) | SMN1; SMN2CHRM2CHRM3 | |
| SCHEMBL21338819 | 0.78 | EPHX1 (0.38) | SMN1; SMN2CHRM2CHRM3 | |
| SCHEMBL21338820 | 0.78 | EPHX1 (0.38) | SMN1; SMN2CHRM2CHRM3 |
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-3694330-A1 | INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | Merck Sharp & Dohme Corp. (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2019074809-A1 | INDAZOLYL-SPIRO[2.2]PENTANE-CARBONITRILE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2019-04-18 | — | — | WO | disclosed |