Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHIT1 | Q13231 | 5/20 | 0.38 |
| ▸ | CHIA | Q9BZP6 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16826072 | 0.81 | CHIT1 (0.43) | CHIT1CHIAKCNH2ACHEPAK1 | |
| Hydrochloric Acid SCHEMBL16826345 | 0.80 | CHIT1 (0.42) | CHIT1CHIAKCNH2ACHEPAK1 | |
| SCHEMBL16825818 | 0.79 | SIGMAR1 (0.52) | CHIT1PAK1 | |
| SCHEMBL16825761 | 0.78 | CHIT1 (0.37) | CHIT1CHIAKCNH2PAK1 | |
| SCHEMBL16825788 | 0.76 | CHIT1 (0.47) | CHIT1CHIAACHEAPP | |
| SCHEMBL16846197 | 0.76 | CHIT1 (0.42) | CHIT1CHIA | |
| SCHEMBL16825712 | 0.74 | LMNA (0.50) | CHIT1 | |
| SCHEMBL16825693 | 0.72 | PAK1 (0.57) | PAK1 | |
| SCHEMBL16825876 | 0.72 | CHIA (0.70) | CHIT1CHIAKCNH2 | |
| SCHEMBL16826174 | 0.72 | CHIT1 (0.44) | CHIT1CHIAKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3082805-B1 | SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME | INST FOR DRUG DISCOVERY LLC (US) | 2020-02-05 | — | — | EP | disclosed |