Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 6/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | RBP4 | P02753 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 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 | |
|---|---|---|---|---|
| SCHEMBL3531721 | 1.00 | CFTR (0.51) | CFTRALDH1A1HSD17B10LMNAGAA | |
| SCHEMBL2085863 | 0.85 | CFTR (0.55) | CFTRALDH1A1HSD17B10GAATSHR | |
| SCHEMBL9120474 | 0.84 | CFTR (0.46) | CFTRALDH1A1HSD17B10LMNAGAA | |
| SCHEMBL7322634 | 0.83 | PTGS1 (0.55) | CFTRHSD17B10LMNAGAATSHR | |
| SCHEMBL11696222 | 0.83 | HSD17B10 (0.55) | ALDH1A1HSD17B10GAATSHRPDK2 | |
| SCHEMBL45490 | 0.82 | LMNA (0.59) | CFTRALDH1A1HSD17B10LMNAGAA | |
| SCHEMBL2895994 | 0.82 | ALDH1A1 (0.67) | CFTRALDH1A1HSD17B10LMNAGAA | |
| SCHEMBL726068 | 0.81 | TAS2R14 (0.54) | CFTRALDH1A1HSD17B10LMNAGAA | |
| SCHEMBL5239843 | 0.81 | CTSS (0.51) | CFTRALDH1A1HSD17B10LMNAGAA | |
| SCHEMBL1508457 | 0.81 | LMNA (0.50) | CFTRALDH1A1HSD17B10LMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3976597-A1 | SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE | Janssen Pharmaceutica NV (BE) | 2022-04-06 | — | — | EP | disclosed |