Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MC4R | P32245 | 1/20 | 0.59 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.59 |
| ▸ | MC3R | P41968 | 1/20 | 0.59 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.50 |
| ▸ | PIM1 | P11309 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.42 |
| ▸ | PI4KA | P42356 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30839465 | 0.78 | CHEK2 (0.49) | KDM4ENAPRTBAZ2B | |
| Hydrochloric Acid SCHEMBL9792812 | 0.78 | MKNK1 (0.52) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL27455922 | 0.78 | — | — | |
| SCHEMBL29516759 | 0.77 | CHUK (0.56) | ADORA3TSHRMC4RADRA1AMC3R | |
| SCHEMBL933914 | 0.77 | MKNK1 (0.59) | ADORA3TSHRMC4RADRA1AMC3R | |
| SCHEMBL30761107 | 0.77 | MKNK1 (0.59) | ADORA3TSHRMC4RADRA1AMC3R | |
| SCHEMBL20169521 | 0.76 | PIK3CD (0.46) | PIM2PIM1HDAC3HDAC1HDAC2 | |
| SCHEMBL2735065 | 0.76 | MKNK1 (0.57) | ADORA3TSHRMC4RADRA1AMC3R | |
| SCHEMBL29355955 | 0.76 | MKNK1 (0.57) | ADORA3TSHRMC4RADRA1AMC3R | |
| Pyrazinamide SCHEMBL18364991 | 0.76 | — | — |
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-105658639-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |