Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | RARA | P10276 | 7/20 | 0.41 |
| ▸ | RARG | P13631 | 7/20 | 0.41 |
| ▸ | RARB | P10826 | 5/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | STAT3 | P40763 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1021435 | 0.78 | RARB (0.56) | ALDH1A1MAPK1RARARARGRARB | |
| SCHEMBL13668349 | 0.70 | ALDH1A1 (0.53) | ALDH1A1MAPTKDM4EMAPK1POLB | |
| SCHEMBL391979 | 0.70 | KDM4E (1.00) | ALDH1A1MAPTKDM4EMAPK1POLB | |
| SCHEMBL1809924 | 0.70 | KDM4E (1.00) | ALDH1A1MAPTKDM4EMAPK1POLB | |
| SCHEMBL13745377 | 0.70 | KDM4E (1.00) | ALDH1A1MAPTKDM4EMAPK1POLB | |
| SCHEMBL9143246 | 0.69 | ALDH1A1 (0.66) | ALDH1A1KDM4EMAPK1TDP1MEN1 | |
| SCHEMBL13668254 | 0.69 | KDM4E (0.50) | ALDH1A1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL3020924 | 0.69 | CNR2 (0.71) | ALDH1A1KDM4EMAPK1RARARARG | |
| SCHEMBL7404759 | 0.69 | KDM4E (0.57) | ALDH1A1MAPTKDM4EMAPK1POLB | |
| SCHEMBL7400148 | 0.69 | KDM4E (0.54) | ALDH1A1MAPTKDM4EMAPK1POLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996015099-A1 | HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1996-05-23 | — | — | WO | disclosed |
| WO-1996015100-A1 | HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1996-05-23 | — | — | WO | disclosed |