Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10028139 | 0.98 | CA1 (0.37) | CA1CA2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10028155 | 0.84 | CA1 (0.37) | CA1CA2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10028205 | 0.81 | KDM4E (0.38) | CYP1A1CYP1A2CYP1B1KDM4EHSD17B10 | |
| SCHEMBL10028141 | 0.80 | CYP1A1 (0.43) | CYP1A1CYP1A2CYP1B1HSD17B10ALDH1A1 | |
| SCHEMBL12873401 | 0.79 | CA1 (0.42) | CA1CA2CYP1B1KDM4EGAA | |
| SCHEMBL10028207 | 0.79 | KDM4E (0.31) | KDM4EGAAHSD17B10MAPTMEN1 | |
| SCHEMBL23502105 | 0.78 | PLA2G2A (0.39) | CA1CA2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17932114 | 0.76 | MAPT (0.40) | CA1CA2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17944460 | 0.76 | PLA2G2A (0.40) | CA1CA2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL23502157 | 0.76 | PLA2G2A (0.40) | CA1CA2CYP1A1CYP1A2CYP1B1 |
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-2046915-B1 | NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2015-12-02 | — | — | EP | disclosed |