Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.46 |
| ▸ | PLOD2 | O00469 | 2/20 | 0.44 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.44 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | KHK | P50053 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | RORB | Q92753 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7329223 | 0.86 | KHK (0.44) | AOC3PLOD2PLOD3PLOD1KHK | |
| SCHEMBL7329226 | 0.82 | PLOD2 (0.46) | AOC3PLOD2PLOD3PLOD1HTR2C | |
| SCHEMBL7400977 | 0.76 | PLOD2 (0.47) | AOC3PLOD2PLOD3PLOD1HTR1A | |
| SCHEMBL27446148 | 0.72 | OPRD1 (0.44) | ITGB3ITGA2BMAPTHRH3RORC | |
| SCHEMBL8637900 | 0.69 | OPRD1 (0.42) | AOC3HRH3F2F10PRSS1 | |
| SCHEMBL27443430 | 0.69 | AOC3 (0.48) | AOC3PLOD2PLOD3PLOD1HTR2C | |
| SCHEMBL7501506 | 0.69 | PLOD2 (0.51) | AOC3PLOD2PLOD3PLOD1KHK | |
| SCHEMBL7402715 | 0.69 | PLOD2 (0.53) | PLOD2PLOD3PLOD1KDM4EGAA | |
| SCHEMBL7329220 | 0.68 | SLC2A1 (0.45) | HRH3 | |
| SCHEMBL7400975 | 0.68 | HDAC1 (0.44) | ITGB3ITGA2BMAPTHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |