Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9511393 | 0.97 | ALDH1A1 (0.38) | ALDH1A1HPGDMAPTNPSR1GAA | |
| SCHEMBL9509953 | 0.96 | CYP2D6 (0.37) | KCNH2AAK1RARBL3MBTL1MEN1 | |
| SCHEMBL9510172 | 0.96 | ALDH1A1 (0.40) | ALDH1A1HPGDMAPTNPSR1GAA | |
| SCHEMBL10514590 | 0.94 | MAPT (0.37) | ALDH1A1HPGDMAPTNPSR1GAA | |
| SCHEMBL9512360 | 0.93 | DRD2 (0.35) | ALDH1A1HPGDMAPTNPSR1GAA | |
| SCHEMBL9508826 | 0.92 | AAK1 (0.36) | ALDH1A1MAPTKCNH2AAK1MCHR1 | |
| SCHEMBL9510222 | 0.89 | ACACB (0.35) | ALDH1A1MAPTGAAKCNH2AAK1 | |
| SCHEMBL9512348 | 0.89 | PTPN11 (0.38) | ALDH1A1HPGDMAPTNPSR1PTPN11 | |
| SCHEMBL9512496 | 0.88 | AAK1 (0.38) | ALDH1A1HPGDMAPTKCNH2AAK1 | |
| SCHEMBL9509291 | 0.88 | HSD17B10 (0.47) | ALDH1A1HPGDMAPTNPSR1GAA |
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-0308438-B1 | LIQUID CRYSTAL PHASE CONTAINING TOLANES | MERCK PATENT GmbH (DE) | 1993-09-29 | — | — | EP | disclosed |