Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4310583 | 0.81 | ESR1 (0.46) | ESR1ESR2NR1H2NR1H3CA12 | |
| SCHEMBL12191049 | 0.79 | ESR1 (0.54) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL63526 | 0.76 | ESR1 (0.70) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL4303759 | 0.75 | ESR1 (0.39) | ESR1ESR2HPGDCA12CA1 | |
| SCHEMBL12191039 | 0.73 | ESR1 (0.75) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL988670 | 0.71 | ESR1 (0.46) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL7751500 | 0.70 | HPGD (0.45) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL30959818 | 0.70 | ESR1 (0.45) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL2006522 | 0.70 | ESR1 (0.45) | ESR1ESR2NR1H2NR1H3HPGD | |
| SCHEMBL23001346 | 0.70 | ESR1 (0.41) | ESR1ESR2NR1H2NR1H3HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102757548-B | Preparation method of nitrogen-substituted graphene oxide/poly3-(4-fluorophenyl)thiophene composite material | OCEANS KING LIGHTING SCIENCE | 2014-11-05 | — | — | CN | disclosed |
| US-20090251849-A1 | Energy Storage Device Having Novel Energy Storage Means | KANEKA CORPORATION (JP) | 2009-10-08 | — | — | US | disclosed |
| WO-2009027541-A2 | OXYGEN COMPOUNDS OF THE BORON GROUP | CHEMETALL GMBH (DE) | 2009-03-05 | — | — | WO | disclosed |