Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHIT1 | Q13231 | 5/20 | 0.38 |
| ▸ | CHIA | Q9BZP6 | 5/20 | 0.38 |
| ▸ | CHI3L1 | P36222 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28686316 | 1.00 | CHIT1 (0.38) | CHIT1CHIACHI3L1ATMHTT | |
| SCHEMBL26438873 | 1.00 | CHIT1 (0.38) | CHIT1CHIACHI3L1ATMHTT | |
| SCHEMBL26438893 | 0.91 | CHIT1 (0.37) | CHIT1CHIACHI3L1ATMHTT | |
| SCHEMBL28686358 | 0.91 | CHIT1 (0.37) | CHIT1CHIACHI3L1ATMHTT | |
| SCHEMBL26438642 | 0.90 | ATM (0.38) | CHIT1CHIACHI3L1ATMHTT | |
| SCHEMBL22903581 | 0.89 | KCNH2 (0.47) | CHIT1CHIACHI3L1ATMHTT | |
| SCHEMBL20629109 | 0.89 | ATM (0.38) | CHIT1CHIACHI3L1ATMHTT | |
| SCHEMBL28700089 | 0.89 | KCNH2 (0.47) | CHIT1CHIACHI3L1ATMHTT | |
| SCHEMBL26438837 | 0.89 | KCNH2 (0.47) | CHIT1CHIACHI3L1ATMHTT | |
| SCHEMBL28690327 | 0.86 | NR1H3 (0.39) | CHIT1CHIACHI3L1ATMNR1D1 |
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 |