Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 3/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.38 |
| ▸ | FLT1 | P17948 | 1/20 | 0.38 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21847419 | 0.84 | NQO2 (0.44) | ALDH1A1KDM4EHSD17B10GAAMAPT | |
| SCHEMBL21847808 | 0.79 | ALDH1A1 (0.42) | ALDH1A1KDM4EHSD17B10GAAMAPT | |
| SCHEMBL2811951 | 0.78 | KDM4E (0.53) | ALDH1A1KDM4EHSD17B10GAAMAPT | |
| SCHEMBL21810696 | 0.77 | GAA (0.53) | ALDH1A1KDM4EHSD17B10GAAMAPT | |
| SCHEMBL2318882 | 0.77 | KDM4E (0.55) | ALDH1A1KDM4EHSD17B10GAAMAPT | |
| SCHEMBL30280995 | 0.77 | KDM4E (0.55) | ALDH1A1KDM4EHSD17B10GAAMAPT | |
| SCHEMBL19869977 | 0.76 | NR4A2 (0.44) | ALDH1A1KDM4EHSD17B10GAAMAPT | |
| SCHEMBL1770853 | 0.74 | KDM4E (0.49) | ALDH1A1KDM4EHSD17B10GAAMAPT | |
| SCHEMBL274700 | 0.73 | KDM4E (0.55) | ALDH1A1KDM4EHSD17B10GAAMAPT | |
| SCHEMBL11385067 | 0.72 | GAA (0.63) | ALDH1A1KDM4EHSD17B10GAAMAPT |
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-2020055976-A1 | TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER | GENENTECH, INC. (US) | 2020-03-19 | — | — | WO | disclosed |