Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.51 |
| ▸ | FABP5 | Q01469 | 3/20 | 0.47 |
| ▸ | FABP7 | O15540 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31758375 | 0.91 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4FABP5 | |
| SCHEMBL119579 | 0.84 | KMT2A (0.48) | FABP5FABP7KMT2A | |
| SCHEMBL29397325 | 0.84 | KMT2A (0.48) | FABP5FABP7KMT2A | |
| SCHEMBL29649593 | 0.84 | KMT2A (0.48) | FABP5FABP7KMT2A | |
| SCHEMBL120280 | 0.84 | FABP5 (0.50) | FABP5FABP7KMT2A | |
| SCHEMBL13359306 | 0.84 | BCHE (0.48) | FABP5FABP7KMT2ABCHEACHE | |
| Water SCHEMBL21056515 | 0.83 | KMT2A (0.47) | FABP5FABP7KMT2A | |
| SCHEMBL6609450 | 0.83 | KMT2A (0.47) | FABP5FABP7KMT2A | |
| SCHEMBL29989813 | 0.82 | KMT2A (0.55) | FABP5FABP7KMT2A | |
| SCHEMBL7853751 | 0.82 | KMT2A (0.55) | FABP5FABP7KMT2A |
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-118359506-A | Synthesis method of stable isotope labeled N-methylbenzylamine | 上海化工研究院有限公司 | 2024-07-19 | — | — | CN | claimed |
| CN-118440039-A | Synthesis method of carbofuran marked by stable isotope | 上海化工研究院有限公司 | 2024-08-06 | — | — | CN | disclosed |
| CN-118359506-A | Synthesis method of stable isotope labeled N-methylbenzylamine | 上海化工研究院有限公司 | 2024-07-19 | — | — | CN | disclosed |
| CN-118359506-A | Synthesis method of stable isotope labeled N-methylbenzylamine | 上海化工研究院有限公司 | 2024-07-19 | — | — | CN | disclosed |