Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 2/20 | 0.39 |
| ▸ | JAK1 | P23458 | 2/20 | 0.39 |
| ▸ | TYK2 | P29597 | 2/20 | 0.39 |
| ▸ | JAK3 | P52333 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 5/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21048812 | 0.86 | ESR1 (0.36) | ESR1KMT2AJAK2JAK1TYK2 | |
| SCHEMBL19337065 | 0.85 | ALDH1A1 (0.47) | ESR1KMT2AJAK2JAK1TYK2 | |
| SCHEMBL9822673 | 0.83 | LMNA (0.42) | ESR1KMT2AMEN1PTGER1LMNA | |
| SCHEMBL6896705 | 0.81 | PTGER1 (0.38) | ESR1KMT2AMEN1PTGER1LMNA | |
| SCHEMBL21048854 | 0.80 | PTGER1 (0.44) | KMT2AJAK2JAK1TYK2JAK3 | |
| SCHEMBL6309662 | 0.75 | ESR1 (0.39) | ESR1KMT2AMEN1LMNAALDH1A1 | |
| SCHEMBL14494516 | 0.75 | ALDH1A1 (0.44) | ESR1KMT2ALMNAALDH1A1HSD17B10 | |
| SCHEMBL17333643 | 0.74 | ESR1 (0.56) | ESR1KMT2ALMNAALDH1A1HSD17B10 | |
| SCHEMBL1291494 | 0.73 | ALDH1A1 (0.44) | ESR1KMT2AJAK2JAK1TYK2 | |
| SCHEMBL462452 | 0.73 | AR (0.49) | KMT2AMEN1LMNAALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3216786-A1 | PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF | Shanghai Shaletech Technology Co., Ltd. (CN) | 2017-09-13 | — | — | EP | disclosed |