Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17631772 | 0.79 | USP2 (0.45) | USP2ALDH1A1TSHRHPGDALOX15 | |
| SCHEMBL12373912 | 0.79 | USP2 (0.45) | USP2ALDH1A1TSHRHPGDALOX15 | |
| SCHEMBL5748187 | 0.77 | CYP3A4 (0.36) | USP2CYP3A4CYP2C19HSD17B10MAPK1 | |
| SCHEMBL20899058 | 0.76 | USP2 (0.36) | USP2CYP3A4CYP2C19HSD17B10MAPK1 | |
| SCHEMBL1468595 | 0.76 | USP2 (0.36) | USP2CYP3A4CYP2C19HSD17B10MAPK1 | |
| SCHEMBL5897337 | 0.76 | CYP3A4 (0.35) | USP2CYP3A4CYP2C19HSD17B10MAPK1 | |
| SCHEMBL22125252 | 0.75 | USP2 (0.35) | USP2CYP3A4CYP2C19HSD17B10MAPK1 | |
| SCHEMBL20502054 | 0.74 | NPC1 (0.40) | MEN1KMT2A | |
| SCHEMBL31566888 | 0.74 | SMN1; SMN2 (0.53) | USP2CYP3A4CYP2C19HSD17B10MEN1 | |
| SCHEMBL31566797 | 0.74 | SMN1; SMN2 (0.53) | USP2CYP3A4CYP2C19HSD17B10MEN1 |
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 |