Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.63 |
| ▸ | CHIT1 | Q13231 | 14/20 | 0.54 |
| ▸ | CHIA | Q9BZP6 | 14/20 | 0.54 |
| ▸ | CHI3L1 | P36222 | 10/20 | 0.54 |
| ▸ | CHI3L2 | Q15782 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18577155 | 0.90 | KCNH2 (0.60) | KCNH2CHIT1CHIACHI3L1CHI3L2 | |
| SCHEMBL18589446 | 0.90 | KCNH2 (0.60) | KCNH2CHIT1CHIACHI3L1CHI3L2 | |
| SCHEMBL18609562 | 0.90 | KCNH2 (0.60) | KCNH2CHIT1CHIACHI3L1CHI3L2 | |
| SCHEMBL18586431 | 0.84 | CHIA (0.64) | KCNH2CHIT1CHIACHI3L1CHI3L2 | |
| Trifluoroacetic Acid SCHEMBL18577402 | 0.84 | KCNH2 (0.57) | KCNH2CHIT1CHIACHI3L1CHI3L2 | |
| SCHEMBL18607917 | 0.83 | KCNH2 (0.65) | KCNH2CHIT1CHIACHI3L1CHI3L2 | |
| SCHEMBL18607978 | 0.83 | KCNH2 (0.65) | KCNH2CHIT1CHIACHI3L1CHI3L2 | |
| SCHEMBL18589411 | 0.83 | KCNH2 (0.65) | KCNH2CHIT1CHIACHI3L1CHI3L2 | |
| SCHEMBL18607916 | 0.83 | KCNH2 (0.65) | KCNH2CHIT1CHIACHI3L1CHI3L2 | |
| SCHEMBL18586832 | 0.83 | CHIT1 (0.65) | KCNH2CHIT1CHIACHI3L1CHI3L2 |
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-3344616-A1 | SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS | ONCOARENDI THERAPEUTICS S.A. (PL) | 2018-07-11 | — | — | EP | disclosed |
| WO-2017037670-A1 | SUBSTITUTED AMINO TRIAZOLES USEFUL AS HUMAN CHITINASE INHIBITORS | OncoArendi Therapeutics Sp. z o.o. (PL) | 2017-03-09 | — | — | WO | disclosed |