Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | F2R | P25116 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL214223 | 0.85 | HTT (0.49) | HTTCYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL15695565 | 0.85 | HTT (0.49) | HTTCYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL29144510 | 0.85 | HTT (0.49) | HTTCYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL4824347 | 0.85 | HTT (0.49) | HTTCYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL4825414 | 0.85 | HTT (0.49) | HTTCYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL9780867 | 0.83 | HTT (0.51) | HTTCYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL9780871 | 0.83 | HTT (0.51) | HTTCYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL4685959 | 0.83 | HTT (0.47) | HTTCYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL4685960 | 0.83 | CXCL8 (0.47) | HTTCYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL31741597 | 0.82 | GABRA1 (0.43) | HTTCYP2C19CYP2C9CYP3A4CYP26A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101679395-B | Triazolyl aminopyrimidine compounds | LILLY CO ELI | 2012-06-13 | — | — | CN | disclosed |
| CN-102498111-A | Sulfonamides as inhibitors of Bcl-2 family proteins for the treatment of cancer | NOVARTIS AG | 2012-06-13 | — | — | CN | disclosed |
| CN-101679395-A | triazolyl aminopyrimidine compounds | LILLY CO ELI | 2010-03-24 | — | — | CN | disclosed |
| CN-101208342-A | Pyrrolobenzodiazepine * pyridine carboxamides and derivatives as follicle stimulating hormone receptor antagonists | WYETH CORP (US) | 2008-06-25 | — | — | CN | disclosed |
| CN-1639146-A | Fused tricyclic heterocycles useful for the treatment of hyperproliferative diseases | BAYER PHARMACEUTICALS CORP (US) | 2005-07-13 | — | — | CN | disclosed |