Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11093483 | 0.87 | GABRA1 (0.43) | ALDH1A1KDM4EGLAGAAADRA1D | |
| SCHEMBL11096506 | 0.85 | ALDH1A1 (0.52) | ALDH1A1KDM4EGAAGABRA1GABRG2 | |
| SCHEMBL11094857 | 0.85 | ALDH1A1 (0.39) | ALDH1A1KDM4EGLAGAAGABRA1 | |
| SCHEMBL11089219 | 0.81 | ALDH1A1 (0.42) | ALDH1A1GABRA1GABRG2GABRB3HPGD | |
| SCHEMBL11377040 | 0.80 | KDM4E (0.53) | ALDH1A1KDM4EGLAGAAADRA1D | |
| SCHEMBL11095399 | 0.80 | PARP1 (0.37) | ALDH1A1KDM4ETP53HPGDHTT | |
| SCHEMBL12505458 | 0.77 | KDM4E (0.54) | ALDH1A1KDM4EGLAGAAADRA1D | |
| SCHEMBL10869194 | 0.75 | SIRT1 (0.55) | ALDH1A1KDM4EGAAHPGD | |
| SCHEMBL11095215 | 0.75 | TSHR (0.39) | ALDH1A1KDM4EGABRA1GABRG2GABRB3 | |
| SCHEMBL2850866 | 0.75 | BCL2L1 (0.51) | ALDH1A1KDM4EGLAGAAHPGD |
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-0018100-B1 | SUBSTITUTED AROMATIC BIOLOGICALLY ACTIVE COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS BIOCIDE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-01-18 | — | — | EP | disclosed |