Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | CFD | P00746 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 4/20 | 0.37 |
| ▸ | NOS2 | P35228 | 4/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.37 |
| ▸ | BPTF | Q12830 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4598099 | 0.81 | HTR6 (0.50) | HTR6PNMTENPP2LOXL2DDB1 | |
| SCHEMBL27903338 | 0.77 | HTR6 (0.53) | HTR6PNMTENPP2LOXL2DDB1 | |
| SCHEMBL27355029 | 0.77 | HTR6 (0.43) | HTR6PNMTENPP2LOXL2DDB1 | |
| SCHEMBL22417128 | 0.75 | HTR6 (0.51) | HTR6PNMTENPP2LOXL2DDB1 | |
| SCHEMBL30583565 | 0.74 | HTR6 (0.50) | HTR6PNMTENPP2LOXL2DDB1 | |
| SCHEMBL2291506 | 0.74 | HTR6 (0.50) | HTR6PNMTENPP2LOXL2DDB1 | |
| Hydrochloric Acid SCHEMBL27795261 | 0.74 | HTR6 (0.50) | HTR6PNMTENPP2LOXL2DDB1 | |
| Hydrochloric Acid SCHEMBL27831019 | 0.72 | HTR6 (0.49) | HTR6PNMTENPP2LOXL2DDB1 | |
| Hydrochloric Acid SCHEMBL31662788 | 0.72 | HTR6 (0.49) | HTR6PNMTENPP2LOXL2DDB1 | |
| SCHEMBL27473567 | 0.72 | ALDH1A1 (0.60) | HTR6PNMTENPP2LOXL2CFD |
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-104341330-B | A kind of N-methyl-N-(3-aminomethyl phenyl) thioformamide and application thereof | 四川摩尔生物制药有限公司 | 2016-09-07 | — | — | CN | claimed |
| CN-104341331-B | A kind of preparation method of N-methyl-N-(3-aminomethyl phenyl) thiocarbamic acid-2-naphthalene ester | 四川摩尔生物制药有限公司 | 2016-08-31 | — | — | CN | claimed |
| CN-104341330-B | A kind of N-methyl-N-(3-aminomethyl phenyl) thioformamide and application thereof | 四川摩尔生物制药有限公司 | 2016-09-07 | — | — | CN | disclosed |
| CN-104341331-B | A kind of preparation method of N-methyl-N-(3-aminomethyl phenyl) thiocarbamic acid-2-naphthalene ester | 四川摩尔生物制药有限公司 | 2016-08-31 | — | — | CN | disclosed |