Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ME2 | P23368 | 1/20 | 0.44 |
| ▸ | ME1 | P48163 | 1/20 | 0.44 |
| ▸ | ME3 | Q16798 | 1/20 | 0.44 |
| ▸ | MLYCD | O95822 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL31506498 | 0.90 | CA12 (0.45) | CA12CA2CA9AKR1C3DHFR | |
| SCHEMBL4072100 | 0.88 | CA12 (0.53) | CA12CA2CA9AKR1C3DHFR | |
| SCHEMBL28650484 | 0.87 | CA12 (0.65) | CA12CA2CA9AKR1C3DHFR | |
| SCHEMBL13285321 | 0.83 | CA12 (0.56) | CA12CA2CA9AKR1C3DHFR | |
| SCHEMBL28842325 | 0.83 | CA12 (0.56) | CA12CA2CA9AKR1C3DHFR | |
| SCHEMBL5153946 | 0.81 | CA12 (0.54) | CA12CA2CA9AKR1C3DHFR | |
| Hydrochloric Acid SCHEMBL28572379 | 0.81 | CA12 (0.54) | CA12CA2CA9AKR1C3DHFR | |
| SCHEMBL4792070 | 0.80 | CA12 (0.49) | CA12CA2CA9AKR1C3DHFR | |
| SCHEMBL4069611 | 0.80 | CA12 (0.46) | CA12CA2CA9AKR1C3DHFR | |
| SCHEMBL2203983 | 0.79 | AKR1C3 (0.68) | CA12CA2CA9AKR1C3DHFR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012061597-A1 | ALPHA-GLUCOSIDASE BINDERS AND METHODS OF THEIR USE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH (US) | 2012-05-10 | — | — | WO | disclosed |