Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 3/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.40 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.38 |
| ▸ | OGA | O60502 | 1/20 | 0.38 |
| ▸ | NMT1 | P30419 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.37 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.37 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20905784 | 1.00 | KIT (0.43) | KITACVR1ALDH1A1LMNAPRKCQ | |
| SCHEMBL23523531 | 1.00 | KIT (0.43) | KITACVR1ALDH1A1LMNAPRKCQ | |
| SCHEMBL17623223 | 0.83 | KIT (0.43) | KITACVR1ALDH1A1LMNAPRKCQ | |
| SCHEMBL4776496 | 0.83 | PRKCQ (0.44) | PRKCQPRKCDHRH4OGANMT1 | |
| SCHEMBL3390844 | 0.83 | PTPN11 (0.38) | OGANMT1MAPK13MAPK12MAPK11 | |
| SCHEMBL31045869 | 0.82 | KIT (0.43) | KITACVR1ALDH1A1LMNAPRKCQ | |
| SCHEMBL26669800 | 0.79 | CYP2C19 (0.55) | KITACVR1PRKCQPRKCDHRH4 | |
| SCHEMBL25142073 | 0.78 | HRH4 (0.43) | ALDH1A1LMNAHRH4OGA | |
| SCHEMBL4937062 | 0.77 | BPTF (0.51) | ALDH1A1HRH4 | |
| SCHEMBL16382029 | 0.77 | OGA (0.39) | ALDH1A1HRH4OGA |
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 |