Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | PDE6D | O43924 | 1/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.42 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.42 |
| ▸ | CACNG2 | Q9Y698 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL26367093 | 0.89 | ESR1 (0.48) | ESR1ESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL26367083 | 0.86 | ESR1 (0.46) | ESR1ESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL1638429 | 0.86 | ESR1 (0.54) | ESR1ESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL26367077 | 0.84 | ESR1 (0.44) | ESR1ESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL26344978 | 0.84 | ESR1 (0.51) | ESR1ESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL22461713 | 0.84 | ESR1 (0.65) | ESR1ESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL26367457 | 0.83 | ALDH1A1 (0.43) | ESR1ESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL26355694 | 0.83 | ESR1 (0.48) | ESR1ESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL26355210 | 0.82 | ESR1 (0.47) | ESR1ESR2ALDH1A1KDM4EHPGD | |
| SCHEMBL26367968 | 0.81 | ESR1 (0.41) | ESR1ESR2ALDH1A1KDM4EHPGD |
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-2017178311-A1 | HETEROCYCLIC COMPOUNDS COMPRISING DIBENZOFURAN AND/OR DIBENZOTHIOPHENE STRUCTURES | MERCK PATENT GMBH (DE) | 2017-10-19 | — | — | WO | disclosed |