Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 8/20 | 0.36 |
| ▸ | VHL | P40337 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL252008 | 0.81 | CYP11B1 (0.37) | CYP11B1CYP11B2LRRK2VHLABL1 | |
| SCHEMBL6170131 | 0.64 | NOS3 (0.46) | CYP11B1LRRK2ABL1CDK8 | |
| SCHEMBL29435479 | 0.64 | HTR6 (0.46) | — | |
| SCHEMBL17570530 | 0.63 | TSHR (0.37) | LRRK2ABL1TGFBR1CDK8 | |
| SCHEMBL25299754 | 0.61 | NTRK1 (0.33) | LRRK2ABL1PRKCICDK8 | |
| SCHEMBL2671146 | 0.61 | ALDH1A1 (0.40) | LRRK2PRKCI | |
| SCHEMBL4385912 | 0.61 | PLCG1 (0.35) | LRRK2ABL1TRPA1CDK8 | |
| SCHEMBL24257735 | 0.61 | ALOX15 (0.48) | CYP11B1CYP11B2ABL1PRKCI | |
| SCHEMBL4453910 | 0.60 | IMPDH2 (0.48) | CYP11B1CYP11B2 | |
| SCHEMBL24257623 | 0.60 | DHFR (0.43) | CYP11B1CYP11B2ADORA2A |
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 |