Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | DGKA | P23743 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2544560 | 0.89 | NR5A2 (0.44) | ESR1DGKAALDH1A1AKR1C4AKR1C3 | |
| SCHEMBL7244065 | 0.87 | DGKA (0.43) | ESR1DGKAALDH1A1AKR1C4AKR1C3 | |
| SCHEMBL15299821 | 0.86 | CYP2C19 (0.39) | ESR1 | |
| SCHEMBL7942389 | 0.85 | CYP2C19 (0.39) | ALDH1A1 | |
| SCHEMBL2098961 | 0.84 | NR5A2 (0.40) | DGKAALDH1A1GAA | |
| SCHEMBL17023844 | 0.83 | ESR1 (0.48) | ESR1DGKAALDH1A1AKR1C4AKR1C3 | |
| SCHEMBL11794029 | 0.83 | VCAM1 (0.37) | ESR1ALDH1A1 | |
| SCHEMBL9940328 | 0.81 | ESR1 (0.51) | ESR1DGKAALDH1A1AKR1C4AKR1C3 | |
| SCHEMBL14480784 | 0.81 | DGKA (0.50) | DGKAALDH1A1NAAAHTR2CMEN1 | |
| SCHEMBL12733270 | 0.80 | ESR1 (0.41) | ESR1DGKAALDH1A1AKR1C4AKR1C3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105102530-A | Poly-1-butene resin composition | MITSU CHEMICALS INC | 2015-11-25 | — | — | CN | disclosed |