Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 8/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.37 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | GPR3 | P46089 | 1/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18407165 | 0.82 | APP (0.46) | CYP1A2ADORA2ABACE1APPTACR3 | |
| SCHEMBL28359898 | 0.79 | ELANE (0.40) | CYP1A2ELANEAPPPARP1CTRB1 | |
| SCHEMBL28054643 | 0.76 | NQO2 (0.47) | CYP1A2BACE1 | |
| SCHEMBL28208747 | 0.74 | NQO2 (0.45) | CYP1A2BACE1 | |
| SCHEMBL28363553 | 0.73 | ALDH1A1 (0.38) | CYP1A2ELANEPARP1 | |
| SCHEMBL27545880 | 0.71 | ADORA2A (0.41) | CYP1A2ADORA2ABACE1APPNPFFR1 | |
| SCHEMBL11052646 | 0.70 | ALDH1A1 (0.61) | CYP1A2ADORA2ABACE1 | |
| SCHEMBL28054584 | 0.70 | MAOA (0.61) | CYP1A2ADORA2AELANEBACE1PARP1 | |
| SCHEMBL14482097 | 0.70 | ATM (0.40) | CYP1A2ADORA2A | |
| SCHEMBL28359772 | 0.70 | ELANE (0.37) | ELANEAPPPARP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105399726-B | 2 methyl, 9 acridine（P-methylphenyl）1,2,3 triazoles and its preparation method and application | 广西中医药大学 | 2018-04-17 | — | — | CN | disclosed |