Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | CLK2 | P49760 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.42 |
| ▸ | QPCT | Q16769 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5793373 | 0.89 | NPC1 (0.48) | IRAK4NPC1RAB9AMEN1KMT2A | |
| SCHEMBL11935027 | 0.84 | NPC1 (0.41) | IRAK4NPC1RAB9AMEN1KMT2A | |
| SCHEMBL12256522 | 0.83 | NPC1 (0.50) | IRAK4NPC1RAB9AMEN1KMT2A | |
| SCHEMBL23510553 | 0.79 | NPC1 (0.48) | IRAK4NPC1RAB9AMEN1KMT2A | |
| SCHEMBL13462789 | 0.79 | NPY5R (0.46) | IRAK4NPC1RAB9AMEN1KMT2A | |
| SCHEMBL13565181 | 0.79 | ALDH1A1 (0.42) | IRAK4NPC1RAB9AMEN1KMT2A | |
| SCHEMBL7581917 | 0.78 | KCNH3 (0.39) | IRAK4NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28147512 | 0.76 | NPC1 (0.47) | IRAK4NPC1RAB9AMEN1KMT2A | |
| SCHEMBL19966693 | 0.76 | MEN1 (0.43) | IRAK4NPC1RAB9AMEN1KMT2A | |
| SCHEMBL12332459 | 0.76 | IRAK4 (0.48) | IRAK4NPC1RAB9AMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112694453-B | Preparation method of N-methylated nitrogen-containing aromatic heterocyclic compound | 中国科学院长春应用化学研究所 | 2022-09-06 | — | — | CN | claimed |
| CN-112694453-A | Preparation method of N-methylated nitrogen-containing aromatic heterocyclic compound | 中国科学院长春应用化学研究所 | 2021-04-23 | — | — | CN | claimed |
| CN-112694453-B | Preparation method of N-methylated nitrogen-containing aromatic heterocyclic compound | 中国科学院长春应用化学研究所 | 2022-09-06 | — | — | CN | disclosed |
| CN-112694453-A | Preparation method of N-methylated nitrogen-containing aromatic heterocyclic compound | 中国科学院长春应用化学研究所 | 2021-04-23 | — | — | CN | disclosed |