Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 3/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL11111681 | 0.92 | ALDH1A1 (0.51) | ALDH1A1GLABRD4TDP1TP53 | |
| SCHEMBL790563 | 0.80 | ALDH1A1 (0.53) | ALDH1A1GLABRD4TDP1TP53 | |
| SCHEMBL11114062 | 0.78 | L3MBTL1 (0.44) | ALDH1A1GLATDP1TP53CYP3A4 | |
| SCHEMBL2712808 | 0.78 | ALDH1A1 (0.70) | ALDH1A1GLABRD4TDP1TP53 | |
| Ethane SCHEMBL28827102 | 0.77 | ALDH1A1 (0.54) | ALDH1A1GLABRD4TDP1TP53 | |
| SCHEMBL11114109 | 0.77 | L3MBTL1 (0.50) | BRD4TDP1GAA | |
| SCHEMBL30525945 | 0.76 | ALDH1A1 (0.68) | ALDH1A1GLABRD4TDP1TP53 | |
| SCHEMBL678904 | 0.75 | L3MBTL1 (0.51) | ALDH1A1BRD4TDP1PTPN1MEN1 | |
| SCHEMBL30525943 | 0.75 | ALDH1A1 (0.66) | ALDH1A1GLATDP1TP53CYP3A4 | |
| SCHEMBL11116996 | 0.74 | ALDH1A1 (0.38) | ALDH1A1GLATDP1TP53CYP3A4 |
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-0037062-B1 | SUBSTITUTED 3-ARYL-2-CYCLOALKENE-1-ONES, PROCESS FOR THEIR PREPARATION AND THEIR PARMACEUTICAL USE | Beiersdorf Aktiengesellschaft (DE) | 1984-10-17 | — | — | EP | claimed |