Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.39 |
| ▸ | HTR3B | O95264 | 2/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 3/20 | 0.34 |
| ▸ | NOS1 | P29475 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL16333454 | 0.73 | ALDH1A1 (1.00) | ALDH1A1KMT2AHTR3EHTR3BHTR3A | |
| SCHEMBL8772859 | 0.69 | ALDH1A1 (0.58) | ALDH1A1KMT2AHTR3EHTR3BHTR3A | |
| SCHEMBL3635852 | 0.66 | KMT2A (0.45) | ALDH1A1KMT2AHTR3EHTR3BHTR3A | |
| SCHEMBL30528357 | 0.64 | ALDH1A1 (0.52) | ALDH1A1KMT2AHTR3EHTR3BHTR3A | |
| SCHEMBL4113099 | 0.61 | NOS3 (0.49) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9351547 | 0.60 | ALDH1A1 (0.40) | ALDH1A1KMT2AHTR3EHTR3BHTR3A | |
| SCHEMBL8142839 | 0.60 | ALDH1A1 (0.40) | ALDH1A1KMT2AHTR3EHTR3BHTR3A | |
| SCHEMBL8141193 | 0.60 | ALDH1A1 (0.40) | ALDH1A1KMT2AHTR3EHTR3BHTR3A | |
| SCHEMBL24872316 | 0.60 | CYP3A4 (0.44) | ALDH1A1KMT2ACYP2D6CYP2C19KIF11 | |
| SCHEMBL27303821 | 0.60 | HTR3E (0.50) | ALDH1A1KMT2AHTR3EHTR3BHTR3A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112341363-A | Synthesis method of 4-chlorobenzenecyanoguanidine | 武汉科技大学 | 2021-02-09 | — | — | CN | claimed |
| CN-112341363-A | Synthesis method of 4-chlorobenzenecyanoguanidine | 武汉科技大学 | 2021-02-09 | — | — | CN | disclosed |
| CN-112341363-A | Synthesis method of 4-chlorobenzenecyanoguanidine | 武汉科技大学 | 2021-02-09 | — | — | CN | disclosed |