Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 7/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | USP8 | P40818 | 1/20 | 0.31 |
| ▸ | MYC | P01106 | 1/20 | 0.31 |
| ▸ | VHL | P40337 | 1/20 | 0.31 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.30 |
| ▸ | CDC7 | O00311 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL252009 | 0.81 | CYP11B1 (0.37) | CYP11B1CYP11B2ABL1LRRK2VHL | |
| SCHEMBL20171985 | 0.69 | HSP90AB1 (0.43) | ABL1DRD1LRRK2ALOX15USP8 | |
| SCHEMBL15691383 | 0.66 | ALDH1A1 (0.39) | DRD1LRRK2ERBB2MAP4K1 | |
| SCHEMBL19374582 | 0.65 | KDM4E (0.43) | ALOX15 | |
| SCHEMBL6170131 | 0.64 | NOS3 (0.46) | CYP11B1ABL1LRRK2ERBB2USP8 | |
| SCHEMBL3465039 | 0.63 | PLCG1 (0.38) | — | |
| SCHEMBL29521582 | 0.63 | MAP4K1 (0.36) | CYP11B1CYP11B2ABL1USP8MAP4K1 | |
| SCHEMBL17178242 | 0.62 | DRD1 (0.46) | DRD1LRRK2USP8 | |
| SCHEMBL15698821 | 0.62 | DRD1 (0.46) | DRD1 | |
| SCHEMBL23500465 | 0.61 | ALDH1A1 (0.36) | LRRK2ERBB2 |
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-2588104-A1 | ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | Merck Sharp & Dohme Corp. (US) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012003147-A1 | ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-05 | — | — | WO | disclosed |