Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 14/20 | 0.40 |
| ▸ | HTR2A | P28223 | 7/20 | 0.38 |
| ▸ | HTR2B | P41595 | 7/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29004251 | 1.00 | HTR2C (0.40) | HTR2CHTR2AHTR2BCHRNB2CHRNA4 | |
| SCHEMBL15508248 | 1.00 | HTR2C (0.40) | HTR2CHTR2AHTR2BCHRNB2CHRNA4 | |
| SCHEMBL29898372 | 0.81 | NPC1 (0.31) | NPC1RAB9A | |
| SCHEMBL30570963 | 0.81 | NPC1 (0.31) | NPC1RAB9A | |
| SCHEMBL16928520 | 0.81 | NPC1 (0.31) | NPC1RAB9A | |
| SCHEMBL29004249 | 0.81 | NPC1 (0.31) | NPC1RAB9A | |
| SCHEMBL15508249 | 0.81 | NPC1 (0.31) | NPC1RAB9A | |
| SCHEMBL29004258 | 0.79 | HTR2C (0.33) | HTR2CHTR2AHTR2BNPC1RAB9A | |
| SCHEMBL29004257 | 0.79 | HTR2C (0.33) | HTR2CHTR2AHTR2BNPC1RAB9A | |
| SCHEMBL29070676 | 0.79 | CHRNB2 (0.36) | HTR2CHTR2AHTR2BCHRNB2CHRNA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116751170-A | Method for directly preparing semi-hydrogenated nitrogen-containing aromatic heterocyclic compound from sugar | 浙江大学 | 2023-09-15 | — | — | CN | disclosed |
| CN-114957138-A | Quinoxaline asymmetric hydrogenation method | 哈尔滨工业大学（深圳） | 2022-08-30 | — | — | CN | disclosed |