Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.53 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.43 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 5/20 | 0.40 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12648428 | 0.83 | NOTUM (0.50) | HPGDSCHRNA7LTA4HHCRTR1HCRTR2 | |
| SCHEMBL9863754 | 0.83 | HPGDS (0.46) | PRKCIHPGDSCHRNA7LTA4HHCRTR1 | |
| SCHEMBL28164766 | 0.83 | HPGDS (0.46) | HPGDSLTA4HCDK8HCRTR1HCRTR2 | |
| SCHEMBL9454674 | 0.83 | HPGDS (0.46) | PRKCIHPGDSCHRNA7LTA4HHCRTR1 | |
| SCHEMBL9507339 | 0.82 | HPGDS (0.53) | HPGDSLTA4HHCRTR1HCRTR2CYP3A4 | |
| SCHEMBL3964365 | 0.82 | HPGDS (0.58) | HPGDSCHRNA7LTA4HCDK8 | |
| SCHEMBL6221648 | 0.81 | HPGDS (0.44) | HPGDSLTA4HHCRTR1HCRTR2CYP3A4 | |
| SCHEMBL14983820 | 0.80 | HPGDS (0.43) | HPGDSCHRNA7LTA4HHCRTR1HCRTR2 | |
| SCHEMBL16383003 | 0.80 | HPGDS (0.43) | HPGDSCHRNA7LTA4HHCRTR1HCRTR2 | |
| SCHEMBL3373791 | 0.79 | LTA4H (0.50) | HPGDSCHRNA7LTA4HRECQLFYN |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026067-B | 6-amino-quinoline-3-carbonitriles as COT modulators | 吉利德科学公司 | 2021-01-12 | — | — | CN | disclosed |
| EP-2493297-A1 | HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-09-05 | — | — | EP | disclosed |
| WO-2011053542-A1 | HETEROCYCLE AMIDE T-TYPE CALCIUM CHANNEL ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-05-05 | — | — | WO | disclosed |