Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27759343 | 0.92 | MAPT (0.46) | CA1CA2CA4CA6ESR1 | |
| SCHEMBL11674343 | 0.81 | EGFR (0.60) | MAPTMAPK1KDM4EALDH1A1HPGD | |
| SCHEMBL13030044 | 0.79 | AMY1A (0.60) | MAPTHSD17B10TP53ALOX15KDM4E | |
| SCHEMBL923601 | 0.78 | BACE1 (0.66) | CA1CA2CA4CA6ESR1 | |
| SCHEMBL12305651 | 0.78 | MEN1 (0.67) | CA1CA2MAPTHSD17B10ALOX15 | |
| SCHEMBL21417797 | 0.78 | PRKCI (0.56) | CA1CA2MAPTCYP1A2HSD17B10 | |
| SCHEMBL2889487 | 0.78 | ALDH1A1 (0.56) | CA1CA2MAPTCYP1A2TP53 | |
| SCHEMBL16935936 | 0.78 | SLC6A4 (0.50) | CA6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL8340727 | 0.77 | PKM (0.66) | CA1CA2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12809240 | 0.76 | HTR2A (0.47) | SLC6A4LMNAGAA |
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-2331624-B1 | BENZOXAZINE-BASED COMPOSITIONS CONTAINING ISOCYANATE-BASED TOUGHENERS | HENKEL AG & CO KGAA (DE) | 2012-02-15 | — | — | EP | disclosed |