Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN4A | P35499 | 3/20 | 0.49 |
| ▸ | AKT1 | P31749 | 9/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.39 |
| ▸ | CHUK | O15111 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL27147895 | 0.95 | SCN4A (0.44) | SCN4AAKT1TACR1KLKB1RPS6KB1 | |
| SCHEMBL27032920 | 0.85 | SCN4A (0.41) | SCN4AAKT1TACR1KLKB1RPS6KB1 | |
| Trifluoroacetic Acid SCHEMBL29828724 | 0.84 | SCN4A (0.41) | SCN4AAKT1TACR1MEN1KMT2A | |
| Trifluoroacetic Acid SCHEMBL29097359 | 0.84 | SCN4A (0.41) | SCN4AAKT1TACR1MEN1KMT2A | |
| SCHEMBL27032995 | 0.78 | SCN4A (0.48) | SCN4AAKT1TACR1RPS6KB1PDPK1 | |
| SCHEMBL27133812 | 0.78 | SCN4A (0.48) | SCN4AAKT1TACR1RPS6KB1PDPK1 | |
| Hydrochloric Acid SCHEMBL27032816 | 0.77 | SCN4A (0.49) | SCN4AAKT1KLKB1RPS6KB1PDPK1 | |
| Hydrochloric Acid SCHEMBL27130904 | 0.77 | SCN4A (0.49) | SCN4AAKT1KLKB1RPS6KB1PDPK1 | |
| Hydrochloric Acid SCHEMBL27130810 | 0.75 | AKT1 (0.49) | SCN4AAKT1RPS6KB1CHUKROCK2 | |
| Hydrochloric Acid SCHEMBL27032824 | 0.75 | AKT1 (0.49) | SCN4AAKT1RPS6KB1CHUKROCK2 |
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-116981672-A | Macrocyclic compounds as CFTR modulators | 爱杜西亚药品有限公司 | 2023-10-31 | — | — | CN | disclosed |