Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6828020 | 0.83 | POLB (0.46) | CYP3A4HPGDPOLBACHEGAA | |
| SCHEMBL23329000 | 0.81 | GAA (0.47) | CYP3A4HPGDPOLBACHEGAA | |
| SCHEMBL28284531 | 0.79 | CYP3A4 (0.50) | CYP3A4HPGDPOLBACHEGAA | |
| SCHEMBL1824644 | 0.78 | CYP3A4 (0.46) | CYP3A4HPGDPOLBACHEGAA | |
| SCHEMBL16191707 | 0.75 | POLB (0.53) | CYP3A4HPGDPOLBACHEMEN1 | |
| SCHEMBL8870573 | 0.75 | CYP3A4 (0.46) | CYP3A4HPGDPOLBACHEGAA | |
| SCHEMBL16096788 | 0.75 | NCEH1 (0.42) | CYP3A4HPGDPOLBACHEMAPT | |
| SCHEMBL23629413 | 0.74 | KDM4E (0.44) | CYP3A4HPGDPOLBACHEGAA | |
| SCHEMBL16665282 | 0.74 | CYP3A4 (0.41) | CYP3A4HPGDPOLBACHEGAA | |
| SCHEMBL1820328 | 0.73 | LMNA (0.43) | CYP3A4HPGDPOLBGAAMEN1 |
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-2004073612-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO. INC. (US) | 2004-09-02 | — | — | WO | disclosed |