Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | QPCTL | Q9NXS2 | 2/20 | 0.51 |
| ▸ | QPCT | Q16769 | 1/20 | 0.51 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.51 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | JAK1 | P23458 | 1/20 | 0.50 |
| ▸ | TYK2 | P29597 | 1/20 | 0.50 |
| ▸ | JAK3 | P52333 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | PAK1 | Q13153 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.39 |
| ▸ | FEN1 | P39748 | 2/20 | 0.39 |
| ▸ | USP7 | Q93009 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30026126 | 1.00 | QPCTL (0.51) | QPCTLQPCTTRPA1JAK2JAK1 | |
| SCHEMBL28178017 | 0.83 | DPP4 (0.51) | QPCTLQPCTMAPTLMNA | |
| SCHEMBL15639225 | 0.81 | QPCT (0.46) | QPCTLQPCTMAPTALOX5APFEN1 | |
| SCHEMBL28294109 | 0.81 | QPCT (0.77) | QPCTLQPCTALOX5APFEN1 | |
| SCHEMBL13373350 | 0.81 | QPCT (0.51) | QPCTLQPCTTRPA1JAK3BACE1 | |
| SCHEMBL13373341 | 0.81 | QPCT (0.51) | QPCTLQPCTTRPA1BACE1MAPT | |
| SCHEMBL6008269 | 0.78 | MAPT (0.50) | QPCTLQPCTMAPTCYP3A4 | |
| SCHEMBL31143361 | 0.78 | MAPT (0.50) | QPCTLQPCTMAPTCYP3A4 | |
| SCHEMBL27824935 | 0.78 | QPCT (0.49) | QPCTLQPCTCYP3A4 | |
| SCHEMBL2457365 | 0.78 | QPCT (0.50) | QPCTLQPCTJAK2MAPTTNKS2 |
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-107312008-B | A kind of catalysis prepares the catalyst and system and method for benzimidazole simultaneously [2,1-b] quinoline -6- ketone derivatives | 马鞍山市泰博化工科技有限公司 | 2019-08-27 | — | — | CN | disclosed |