Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.45 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 7/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | BCR | P11274 | 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 | |
|---|---|---|---|---|
| SCHEMBL16639367 | 0.78 | ESR1 (0.50) | HSD17B1KIF11ESR1MEN1KMT2A | |
| SCHEMBL1513558 | 0.75 | HSD17B1 (0.62) | HSD17B1ESR1MEN1KMT2AALOX5 | |
| SCHEMBL1513721 | 0.75 | HSD17B1 (0.58) | HSD17B1ESR1MEN1KMT2AALOX5 | |
| Formic Acid Methyl Ester SCHEMBL28786247 | 0.67 | HSD17B1 (0.53) | HSD17B1ESR1MEN1KMT2ATDP2 | |
| SCHEMBL8408108 | 0.65 | — | — | |
| SCHEMBL28091062 | 0.65 | HSD17B1 (0.58) | HSD17B1ESR1MEN1KMT2AALOX5 | |
| SCHEMBL16020439 | 0.65 | HSD17B1 (0.58) | HSD17B1ESR1MEN1KMT2AALOX5 | |
| Ammonia Solution, Strong SCHEMBL21632258 | 0.64 | DRD2 (0.54) | ESR1ESR2 | |
| SCHEMBL27280684 | 0.63 | ESR2 (0.52) | HSD17B1KIF11ESR1ADORA1TDP2 | |
| Ammonia Solution, Strong SCHEMBL4888955 | 0.63 | HSD17B3 (0.50) | KIF11MEN1KMT2AALOX5TDP2 |
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-2862888-A1 | POLYMER COMPOUND, CHARGE TRANSPORTING POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, AND ORGANIC EL LIGHTING | Mitsubishi Chemical Corporation (JP) | 2015-04-22 | — | — | EP | disclosed |