Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5985695 | 1.00 | TDP1 (0.40) | TDP1CYP3A4CYP2C9CYP2C19THRB | |
| SCHEMBL19996621 | 0.88 | THRB (0.45) | TDP1CYP3A4CYP2C9CYP2C19THRB | |
| SCHEMBL8805010 | 0.88 | THRB (0.45) | TDP1CYP3A4CYP2C9CYP2C19THRB | |
| SCHEMBL1207769 | 0.87 | POLB (0.38) | TDP1CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL1795613 | 0.82 | — | — | |
| SCHEMBL9610627 | 0.81 | ALDH1A1 (0.34) | TDP1THRBPOLBALDH1A1MAPT | |
| SCHEMBL28516952 | 0.79 | ATM (0.37) | THRB | |
| SCHEMBL28599850 | 0.79 | ATM (0.37) | THRB | |
| SCHEMBL3649807 | 0.79 | ATM (0.37) | THRB | |
| SCHEMBL17522504 | 0.79 | THRB (0.40) | CYP3A4CYP2C9CYP2C19THRBCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4132726-A | INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS | TEIJIN LIMITED (JP) | 1979-01-02 | — | — | US | disclosed |