Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ATR | Q13535 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.40 |
| ▸ | GHSR | Q92847 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | QPCT | Q16769 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14823134 | 0.84 | CYP11B1 (0.53) | TDO2GSK3BDYRK1ANUDT1CYP11B1 | |
| SCHEMBL8957505 | 0.80 | NUDT1 (0.43) | TDO2GSK3BDYRK1ANUDT1CYP11B1 | |
| SCHEMBL9001704 | 0.80 | CYP11B1 (0.47) | TDO2GSK3BDYRK1ANUDT1CYP11B1 | |
| SCHEMBL6657347 | 0.76 | NPC1 (0.64) | CYP11B1CYP19A1ATRCYP11B2ALDH1A1 | |
| SCHEMBL7497614 | 0.76 | FGFR1 (0.62) | CYP11B1CYP19A1ATRCYP11B2ALDH1A1 | |
| SCHEMBL5831050 | 0.70 | PIK3CD (0.68) | TDO2GSK3BDYRK1ANUDT1CYP11B1 | |
| SCHEMBL31735555 | 0.69 | NUDT1 (0.52) | TDO2GSK3BDYRK1ANUDT1CYP11B1 | |
| SCHEMBL7493615 | 0.68 | HASPIN (0.51) | TDO2DYRK1ACYP11B1CYP11B2TLR8 | |
| SCHEMBL16241832 | 0.68 | HASPIN (0.51) | TDO2DYRK1ACYP11B1CYP11B2TLR8 | |
| SCHEMBL16694670 | 0.68 | CYP2A6 (0.70) | TDO2DYRK1ACYP11B1CYP19A1CYP11B2 |
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-2231671-B1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMA (US) | 2013-04-24 | — | — | EP | disclosed |