Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.47 |
| ▸ | AR | P10275 | 3/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | HTR2B | P41595 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.39 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28211890 | 1.00 | KDM1A (0.47) | KDM1AARSLC6A2HTR2AHTR2C | |
| SCHEMBL8326083 | 1.00 | KDM1A (0.47) | KDM1AARSLC6A2HTR2AHTR2C | |
| SCHEMBL19332083 | 0.96 | KDM1A (0.47) | KDM1AARSLC6A2HTR2AHTR2C | |
| SCHEMBL19332086 | 0.96 | KDM1A (0.47) | KDM1AARSLC6A2HTR2AHTR2C | |
| SCHEMBL1138138 | 0.96 | KDM1A (0.47) | KDM1AARSLC6A2HTR2AHTR2C | |
| SCHEMBL21595897 | 0.87 | KDM1A (0.56) | KDM1ASLC6A2HTR2AHTR2CSLC6A4 | |
| SCHEMBL25341890 | 0.79 | SLC18A3 (0.49) | ARSLC6A2HTR2AHTR2CSLC6A4 | |
| SCHEMBL4607615 | 0.79 | KDM1A (0.47) | KDM1AARHTR2CHTR2BHRH3 | |
| SCHEMBL4604751 | 0.79 | SLC18A3 (0.49) | ARSLC6A2HTR2AHTR2CSLC6A4 | |
| SCHEMBL4604753 | 0.79 | SLC18A3 (0.49) | ARSLC6A2HTR2AHTR2CSLC6A4 |
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-107835808-A | The acetic acid derivatives of pyridine 3 of the inhibitor replicated as human immunodeficiency virus | VIIV保健英国第五有限公司 | 2018-03-23 | — | — | CN | disclosed |