Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.52 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28415105 | 1.00 | EGFR (0.52) | EGFRGRM4NPC1PTK6MEN1 | |
| SCHEMBL12213332 | 0.85 | MEN1 (0.50) | GRM4NPC1MEN1KMT2ARAB9A | |
| SCHEMBL31220846 | 0.85 | KMT2A (0.63) | GRM4NPC1MEN1KMT2ARAB9A | |
| SCHEMBL7981759 | 0.85 | KMT2A (0.63) | GRM4NPC1MEN1KMT2ARAB9A | |
| SCHEMBL25453077 | 0.81 | MEN1 (0.48) | GRM4NPC1MEN1KMT2ARAB9A | |
| SCHEMBL30502751 | 0.81 | MEN1 (0.48) | GRM4NPC1MEN1KMT2ARAB9A | |
| SCHEMBL21258999 | 0.79 | NPC1 (0.60) | EGFRNPC1MEN1KMT2ARAB9A | |
| SCHEMBL29850051 | 0.79 | NPC1 (0.60) | EGFRNPC1MEN1KMT2ARAB9A | |
| SCHEMBL7775673 | 0.78 | EGFR (0.57) | EGFRNPC1MEN1KMT2AMAPK1 | |
| SCHEMBL3957102 | 0.78 | HTR3E (0.58) | EGFRGRM4NPC1MEN1KMT2A |
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-111206260-B | Electrochemical synthesis method of pyrido [1,2-a ] benzimidazole compound | 齐鲁工业大学 | 2022-03-22 | — | — | CN | disclosed |