Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.49 |
| ▸ | PNMT | P11086 | 6/20 | 0.44 |
| ▸ | DRD2 | P14416 | 4/20 | 0.44 |
| ▸ | DRD3 | P35462 | 4/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL4808214 | 0.80 | KDM1A (0.49) | KDM1APNMTDRD2DRD3PGR | |
| SCHEMBL4495832 | 0.69 | KDM1A (0.42) | KDM1APNMTDRD2DRD3ESR1 | |
| SCHEMBL4495829 | 0.69 | KDM1A (0.42) | KDM1APNMTDRD2DRD3ESR1 | |
| SCHEMBL3832135 | 0.69 | KDM1A (0.46) | KDM1A | |
| SCHEMBL7887551 | 0.69 | KDM1A (0.46) | KDM1A | |
| SCHEMBL12399388 | 0.67 | KDM1A (0.46) | KDM1APNMTDRD2DRD3PGR | |
| SCHEMBL23782794 | 0.67 | KDM1A (0.57) | KDM1APNMTDRD2DRD3AR | |
| SCHEMBL26892628 | 0.67 | KDM1A (0.57) | KDM1APNMTDRD2DRD3AR | |
| SCHEMBL29618370 | 0.67 | KDM1A (0.57) | KDM1APNMTDRD2DRD3AR | |
| SCHEMBL8222195 | 0.66 | PNMT (0.60) | KDM1APNMTDRD2DRD3 |
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-110049984-A | Novel phenylpropionic acid derivative and use thereof | 日东制药株式会社 | 2019-07-23 | — | — | CN | disclosed |