Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | CASP6 | P55212 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | LIG1 | P18858 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20524919 | 0.78 | PTGS1 (0.52) | PTGS1PTGS2ALDH1A1ALOX15KDM4E | |
| SCHEMBL31566429 | 0.78 | PTGS1 (0.38) | PTGS1PTGS2ALDH1A1ALOX15G6PD | |
| SCHEMBL22235420 | 0.78 | PTGS1 (0.38) | PTGS1PTGS2ALDH1A1ALOX15G6PD | |
| SCHEMBL11637814 | 0.70 | KDM4E (0.40) | PTGS1PTGS2ALDH1A1KDM4EMAPT | |
| SCHEMBL21845225 | 0.70 | PARP1 (0.38) | PTGS1PTGS2ALDH1A1ALOX15G6PD | |
| SCHEMBL7398365 | 0.70 | KDM4E (0.48) | ALDH1A1ALOX15G6PDCASP7CASP6 | |
| SCHEMBL21828706 | 0.69 | HNF4A (0.44) | PTGS1PTGS2ALDH1A1ALOX15PARP1 | |
| SCHEMBL7405530 | 0.69 | LIG1 (0.44) | ALDH1A1ALOX15G6PDCASP7CASP6 | |
| SCHEMBL6530620 | 0.68 | ALDH1A1 (0.50) | ALDH1A1ALOX15G6PDCASP7CASP6 | |
| SCHEMBL24258204 | 0.67 | HDAC3 (0.35) | PTGS1PTGS2ALDH1A1PARP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996015099-A1 | HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1996-05-23 | — | — | WO | disclosed |