Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | CHIT1 | Q13231 | 2/20 | 0.39 |
| ▸ | CHIA | Q9BZP6 | 2/20 | 0.39 |
| ▸ | CHI3L1 | P36222 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.36 |
| ▸ | VEGFA | P15692 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26438577 | 1.00 | KCNH2 (0.45) | KCNH2CHIT1CHIACHI3L1NR1H2 | |
| SCHEMBL26439038 | 0.94 | KCNH2 (0.45) | KCNH2CHIT1CHIACHI3L1NR1H2 | |
| SCHEMBL18607759 | 0.90 | CHIT1 (0.48) | KCNH2CHIT1CHIACHI3L1NR1H2 | |
| SCHEMBL20747186 | 0.90 | CHIT1 (0.48) | KCNH2CHIT1CHIACHI3L1NR1H2 | |
| SCHEMBL18589339 | 0.90 | CHIT1 (0.48) | KCNH2CHIT1CHIACHI3L1NR1H2 | |
| SCHEMBL18607977 | 0.90 | CHIT1 (0.48) | KCNH2CHIT1CHIACHI3L1NR1H2 | |
| SCHEMBL26439404 | 0.88 | KCNH2 (0.47) | KCNH2CHIT1CHIACHI3L1NR1H2 | |
| SCHEMBL28692439 | 0.87 | KCNH2 (0.48) | KCNH2CHIT1CHIACHI3L1HCRTR1 | |
| SCHEMBL26438642 | 0.86 | ATM (0.38) | KCNH2CHIT1CHIACHI3L1NR1H2 | |
| SCHEMBL28700089 | 0.86 | KCNH2 (0.47) | KCNH2CHIT1CHIACHI3L1NR1H2 |
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 |