Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 13/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | INSR | P06213 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.44 |
| ▸ | WNT1 | P04628 | 4/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.43 |
| ▸ | CLK2 | P49760 | 2/20 | 0.43 |
| ▸ | CLK3 | P49761 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11748510 | 0.79 | NTRK1 (0.43) | KDM4EALDH1A1 | |
| SCHEMBL28079288 | 0.79 | NTRK1 (0.45) | MCHR1 | |
| SCHEMBL1966636 | 0.74 | DYRK1A (0.55) | CDK5CDK5R1WNT1DYRK1ACLK2 | |
| SCHEMBL28079206 | 0.73 | DYRK1A (0.69) | CDK5CDK5R1WNT1DYRK1ACLK2 | |
| SCHEMBL25200397 | 0.71 | PDPK1 (0.53) | CDK5ALKDYRK1ACLK2 | |
| SCHEMBL3513100 | 0.71 | ALK (0.73) | INSRIGF1RALKCLK2 | |
| SCHEMBL3514493 | 0.70 | ALK (0.74) | INSRIGF1RALKCLK2 | |
| SCHEMBL26393980 | 0.68 | GSK3B (0.57) | DYRK1A | |
| SCHEMBL11748390 | 0.68 | FADS1 (0.54) | KDM4E | |
| SCHEMBL11754096 | 0.67 | TRPA1 (0.50) | KDM4EALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105658640-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |