Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | NQO1 | P15559 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL6678264 | 0.94 | CYP3A4 (0.52) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL2153438 | 0.84 | TP53 (0.53) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL2155506 | 0.84 | TP53 (0.53) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL20873229 | 0.83 | LTA4H (0.47) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL2363645 | 0.82 | TSHR (0.53) | LTA4HCYP1A2CYP2C19SMN1; SMN2THRB | |
| SCHEMBL4839945 | 0.82 | TP53 (0.52) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL4839953 | 0.82 | TP53 (0.52) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| 1,3-Diethoxybenzene SCHEMBL1100167 | 0.82 | TP53 (0.71) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL29590110 | 0.81 | TP53 (0.50) | TP53CYP3A4NQO1LTA4HMAPK1 | |
| SCHEMBL16694067 | 0.81 | TP53 (0.50) | TP53CYP3A4NQO1LTA4HMAPK1 |
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-0096905-B1 | PROCESS FOR THE PREPARATION OF GLYCOL ALDEHYDE | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-04-23 | — | — | EP | disclosed |