Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 7/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22166500 | 0.93 | CYP1A2 (0.51) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL6053403 | 0.81 | EGFR (0.41) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL21792766 | 0.80 | CYP1A2 (0.38) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL359097 | 0.79 | HIF1A (0.41) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL9560149 | 0.77 | SHBG (0.45) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL68683 | 0.77 | AMY1A (0.53) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL21773393 | 0.76 | CYP1A2 (0.39) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL21792666 | 0.76 | HIF1A (0.45) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL358417 | 0.73 | EGFR (0.47) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A | |
| SCHEMBL15455758 | 0.72 | GLA (0.34) | CYP2C19CYP1A2CYP2D6CYP2C9HIF1A |
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-2012007948-A2 | CYTOTOXIC Ti (IV) COMPOUNDS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2012-01-19 | — | — | WO | disclosed |