Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15762373 | 0.85 | ESR1 (0.44) | ESR1NAMPTHTR1ADRD2DRD1 | |
| SCHEMBL25702941 | 0.84 | PTPN1 (0.44) | ESR1NAMPTHTR1ADRD2DRD1 | |
| SCHEMBL2176055 | 0.81 | ESR1 (0.46) | ESR1NAMPTHTR1ADRD2DRD1 | |
| SCHEMBL24633602 | 0.81 | ESR1 (0.46) | ESR1NAMPTHTR1ADRD2DRD1 | |
| SCHEMBL31205259 | 0.80 | ESR1 (0.45) | ESR1NAMPTHTR1ADRD2DRD1 | |
| SCHEMBL3081703 | 0.80 | ESR1 (0.47) | ESR1NAMPTHTR1ADRD2DRD1 | |
| SCHEMBL3089155 | 0.78 | ESR1 (0.43) | ESR1NAMPTHTR1ADRD2DRD1 | |
| SCHEMBL3642134 | 0.77 | JMJD6 (0.44) | ESR1NAMPTHTR1ADRD2DRD1 | |
| SCHEMBL15718288 | 0.77 | NAMPT (0.47) | ESR1NAMPTHTR1ADRD2DRD1 | |
| SCHEMBL30980395 | 0.77 | AOC2 (0.50) | ESR1NAMPTHTR1ADRD2DRD1 |
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-102906092-A | Certain triazolopyridine compounds and triazolopyrazine compounds, compositions thereof and methods of use thereof | HUTCHISON MEDIPHARMA LTD | 2013-01-30 | — | — | CN | disclosed |