Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 11/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL21172700 | 0.84 | HPGD (0.49) | HPGDPDK1PDK2PDK3PDK4 | |
| SCHEMBL21172928 | 0.83 | HPGD (0.55) | HPGDALDH1A1RECQLKDM4EMAPT | |
| SCHEMBL24347198 | 0.83 | HPGD (0.55) | HPGDALDH1A1RECQLKDM4EMAPT | |
| SCHEMBL21172588 | 0.82 | KDM4E (0.47) | HPGDPDK1PDK2PDK3PDK4 | |
| SCHEMBL21172664 | 0.81 | HSD17B3 (0.52) | HPGDALDH1A1RECQLKDM4EMAPT | |
| SCHEMBL24347806 | 0.81 | HSD17B3 (0.52) | HPGDALDH1A1RECQLKDM4EMAPT | |
| SCHEMBL21173242 | 0.80 | S100B (0.42) | HPGDALDH1A1RECQLKDM4EGAA | |
| SCHEMBL24348300 | 0.79 | PDK1 (0.43) | HPGDPDK1PDK2PDK3PDK4 | |
| SCHEMBL21172919 | 0.79 | BRD4 (0.43) | HPGDALDH1A1RECQLKDM4EMAPT | |
| SCHEMBL24348093 | 0.78 | MAPT (0.43) | HPGDALDH1A1RECQLKDM4EMAPT |
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-3511323-B1 | 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2022-03-02 | — | — | EP | disclosed |