Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHIT1 | Q13231 | 11/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 10/20 | 0.61 |
| ▸ | CHIA | Q9BZP6 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
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 SCHEMBL28702259 | 0.94 | KCNH2 (0.61) | CHIT1KCNH2CHIASLC6A3 | |
| SCHEMBL22901752 | 0.92 | CHIT1 (0.71) | CHIT1KCNH2CHIASLC6A3 | |
| SCHEMBL22903462 | 0.92 | CHIT1 (0.71) | CHIT1KCNH2CHIASLC6A3 | |
| Trifluoroacetic Acid SCHEMBL29789368 | 0.87 | KCNH2 (0.59) | CHIT1KCNH2CHIA | |
| SCHEMBL22903470 | 0.85 | KCNH2 (0.71) | CHIT1KCNH2CHIASLC6A3 | |
| SCHEMBL22901758 | 0.85 | KCNH2 (0.71) | CHIT1KCNH2CHIASLC6A3 | |
| Trifluoroacetic Acid SCHEMBL28709517 | 0.84 | KCNH2 (0.55) | CHIT1KCNH2CHIA | |
| Trifluoroacetic Acid SCHEMBL29789346 | 0.84 | CHIT1 (0.68) | CHIT1KCNH2CHIA | |
| Trifluoroacetic Acid SCHEMBL28708518 | 0.84 | CHIT1 (0.60) | CHIT1KCNH2CHIA | |
| Trifluoroacetic Acid SCHEMBL29789420 | 0.83 | CHIT1 (0.59) | CHIT1KCNH2CHIA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3999500-A1 | SUBSTITUTED AMINO TRIAZOLES USEFUL AS CHITINASE INHIBITORS | OncoArendi Therapeutics S.A. (PL) | 2022-05-25 | — | — | EP | disclosed |
| CN-114174280-A | Substituted aminotriazoles useful as chitinase inhibitors | 昂科艾伦迪治疗法公司 | 2022-03-11 | — | — | CN | disclosed |