Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 17/20 | 0.74 |
| ▸ | CHIT1 | Q13231 | 9/20 | 0.54 |
| ▸ | CHIA | Q9BZP6 | 5/20 | 0.53 |
| ▸ | CHI3L1 | P36222 | 1/20 | 0.50 |
| ▸ | CHI3L2 | Q15782 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL22901813 | 1.00 | KCNH2 (0.74) | KCNH2CHIT1CHIACHI3L1CHI3L2 | |
| Trifluoroacetic Acid SCHEMBL28702232 | 0.93 | KCNH2 (0.65) | KCNH2CHIT1CHIA | |
| SCHEMBL22903681 | 0.90 | KCNH2 (0.59) | KCNH2CHIT1CHIACHI3L1 | |
| SCHEMBL22901825 | 0.90 | KCNH2 (0.59) | KCNH2CHIT1CHIACHI3L1 | |
| SCHEMBL22902036 | 0.87 | KCNH2 (0.57) | KCNH2CHIT1CHIA | |
| SCHEMBL22901788 | 0.87 | KCNH2 (0.74) | KCNH2CHIT1CHIA | |
| SCHEMBL22903689 | 0.87 | KCNH2 (0.71) | KCNH2CHIT1CHIA | |
| SCHEMBL22901736 | 0.87 | KCNH2 (0.71) | KCNH2CHIT1CHIA | |
| SCHEMBL22901817 | 0.86 | KCNH2 (0.72) | KCNH2CHIT1CHIA | |
| SCHEMBL22903694 | 0.86 | KCNH2 (0.72) | KCNH2CHIT1CHIA |
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-2021009209-A1 | SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS | Oncoarendi Therapeutics S.A. (PL) | 2021-01-21 | — | — | WO | disclosed |