Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 3/20 | 0.45 |
| ▸ | MAP2K4 | P45985 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 5/20 | 0.37 |
| ▸ | GSK3A | P49840 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 6/20 | 0.37 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.35 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.35 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.35 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.35 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
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 | 0.85 | NTRK1 (0.43) | NTRK1GSK3BGSK3ACDK2 | |
| SCHEMBL28079205 | 0.79 | MCHR1 (0.48) | MCHR1 | |
| SCHEMBL25200397 | 0.77 | PDPK1 (0.53) | NTRK1GSK3BGSK3ACDK2PRKAA1 | |
| SCHEMBL26393980 | 0.73 | GSK3B (0.57) | GSK3BGSK3ACDK2CDK1CDK4 | |
| SCHEMBL11748390 | 0.73 | FADS1 (0.54) | MAP2K4GSK3B | |
| SCHEMBL11754096 | 0.73 | TRPA1 (0.50) | MAP2K4CDK2 | |
| SCHEMBL28079253 | 0.71 | MAP2K4 (0.41) | NTRK1MAP2K4PRKAB2PRKAG1PRKAA2 | |
| Hydrochloric Acid SCHEMBL8487463 | 0.71 | TRPA1 (0.49) | MAP2K4CDK2 | |
| SCHEMBL28079409 | 0.71 | TRPA1 (0.49) | MAP2K4CDK2 | |
| SCHEMBL24424194 | 0.71 | MAP2K4 (0.49) | NTRK1MAP2K4PRKAB2PRKAG1PRKAA2 |
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 |