Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 3/20 | 0.40 |
| ▸ | ANPEP | P15144 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PPM1B | O75688 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9745246 | 0.85 | ALDH1A1 (0.43) | ALDH1A1BRD4MMP2ANPEPCYP1A2 | |
| SCHEMBL9745048 | 0.85 | ALDH1A1 (0.43) | ALDH1A1BRD4MMP2ANPEPCYP1A2 | |
| SCHEMBL9745059 | 0.85 | ALDH1A1 (0.43) | ALDH1A1BRD4MMP2ANPEPCYP1A2 | |
| SCHEMBL9745249 | 0.85 | ALDH1A1 (0.43) | ALDH1A1BRD4MMP2ANPEPCYP1A2 | |
| SCHEMBL9745052 | 0.85 | ALDH1A1 (0.43) | ALDH1A1BRD4MMP2ANPEPCYP1A2 | |
| SCHEMBL11268405 | 0.80 | SLC6A3 (0.51) | POLB | |
| SCHEMBL11108574 | 0.78 | ALDH1A1 (0.44) | ALDH1A1CYP2C19PPM1BPTPN1PPP1CC | |
| SCHEMBL2013269 | 0.78 | KDM4E (0.34) | ALDH1A1KMT2A | |
| SCHEMBL2372196 | 0.75 | BRD4 (0.44) | ALDH1A1BRD4MMP2ANPEPCYP1A2 | |
| SCHEMBL872959 | 0.75 | — | — |
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-0049848-A1 | Process for the preparation of 2,6-disubstituted 4-hydroxy-benzoic acids and their esters | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-04-21 | — | — | EP | disclosed |