Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.46 |
| ▸ | ESR1 | P03372 | 5/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5226841 | 0.83 | ESR1 (0.58) | CA2ESR1S1PR1LMNAKMT2A | |
| SCHEMBL9435464 | 0.81 | CA2 (0.39) | CA2ESR1S1PR1LMNATSHR | |
| SCHEMBL21456940 | 0.78 | ESR1 (0.45) | ESR1S1PR1LMNATSHRMAPK1 | |
| SCHEMBL3376825 | 0.76 | ESR1 (0.54) | CA2ESR1LMNATSHRMAPK1 | |
| Water SCHEMBL27995895 | 0.76 | CA2 (0.44) | CA2ESR1LMNATSHRMAPK1 | |
| SCHEMBL27701625 | 0.74 | CA2 (0.62) | CA2ESR1LMNATSHRKMT2A | |
| SCHEMBL27283527 | 0.74 | ESR1 (0.53) | CA2ESR1LMNATSHRMAPK1 | |
| SCHEMBL23859846 | 0.73 | RORC (0.46) | CA2ESR1KMT2ARORCL3MBTL1 | |
| SCHEMBL7835577 | 0.73 | CA2 (0.41) | CA2ESR1S1PR1LMNATSHR | |
| SCHEMBL6039797 | 0.73 | CA2 (0.41) | CA2ESR1LMNATSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006038001-A1 | AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS | CELLTECH R & D LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |