Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 4/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29070709 | 1.00 | CYP1A2 (0.38) | CYP1A2CHRNB2CHRNA4NPC1RAB9A | |
| SCHEMBL29070741 | 0.92 | CYP1A2 (0.38) | CYP1A2CHRNB2CHRNA4NPC1RAB9A | |
| SCHEMBL30570966 | 0.92 | CYP1A2 (0.38) | CYP1A2CHRNB2CHRNA4NPC1RAB9A | |
| SCHEMBL16722790 | 0.79 | BRD4 (0.33) | BRD4CREBBPEP300 | |
| SCHEMBL29004245 | 0.79 | HTR2C (0.40) | CYP1A2CHRNB2CHRNA4NPC1RAB9A | |
| SCHEMBL24290488 | 0.79 | PNMT (0.42) | NPC1RAB9AHTR2CBRD4HTR2A | |
| SCHEMBL29070708 | 0.79 | HTR2C (0.40) | CHRNB2CHRNA4HTR2CBRD4CREBBP | |
| SCHEMBL16722791 | 0.79 | PNMT (0.42) | NPC1RAB9AHTR2CBRD4HTR2A | |
| SCHEMBL15508323 | 0.79 | HTR2C (0.40) | CYP1A2CHRNB2CHRNA4NPC1RAB9A | |
| SCHEMBL29004248 | 0.79 | HTR2C (0.40) | CYP1A2CHRNB2CHRNA4NPC1RAB9A |
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-116751170-A | Method for directly preparing semi-hydrogenated nitrogen-containing aromatic heterocyclic compound from sugar | 浙江大学 | 2023-09-15 | — | — | CN | disclosed |