Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.56 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 3/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | MPO | P05164 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | HTR1D | P28221 | 1/20 | 0.54 |
| ▸ | HTR1B | P28222 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 1/20 | 0.54 |
| ▸ | CTSK | P43235 | 1/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.54 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28236251 | 0.97 | SLC6A4 (0.59) | SLC6A4ALOX12SIRT1HTR2AHTR2C | |
| SCHEMBL7004146 | 0.85 | HTR2A (0.71) | SLC6A4HTR2AHTR2CCYP1A2CYP3A4 | |
| SCHEMBL20103761 | 0.83 | SLC6A4 (0.54) | SLC6A4ALOX12SIRT1HTR2AHTR2C | |
| SCHEMBL7004071 | 0.83 | HTR2A (0.69) | SLC6A4HTR2AHTR2CCYP1A2CYP3A4 | |
| SCHEMBL7001306 | 0.83 | HTR2A (0.69) | SLC6A4HTR2AHTR2CCYP1A2CYP3A4 | |
| SCHEMBL7889427 | 0.83 | HTR2A (0.69) | SLC6A4HTR2AHTR2CCYP1A2CYP3A4 | |
| SCHEMBL8959876 | 0.82 | SLC6A4 (0.54) | SLC6A4ALOX12HTR2AHTR2CCYP1A2 | |
| SCHEMBL3086792 | 0.82 | MEN1 (0.74) | SLC6A4SIRT1HTR2AHTR2CCYP1A2 | |
| SCHEMBL7005718 | 0.81 | HTR2A (0.71) | SLC6A4HTR2AHTR2CCYP1A2CYP3A4 | |
| SCHEMBL109955 | 0.80 | SLC6A4 (0.66) | SLC6A4ALOX12HTR2AHTR2CCYP1A2 |
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-105085482-B | Substituted diethylenediamine compound and its application method and purposes | 广东东阳光药业有限公司 | 2018-08-10 | — | — | CN | disclosed |