Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 7/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 7/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | MME | P08473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1816006 | 0.81 | MAPK1 (0.44) | TSHRALDH1A1CYP4F2CYP4A11MEN1 | |
| SCHEMBL28734643 | 0.81 | MEN1 (0.42) | CYP2C19TSHRCYP4F2CYP4A11MEN1 | |
| SCHEMBL15573832 | 0.80 | CYP2C19 (0.47) | CYP2C19TSHRALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL3877084 | 0.80 | CYP2C19 (0.47) | CYP2C19ALDH1A1CYP4F2CYP4A11TBXAS1 | |
| SCHEMBL28278251 | 0.78 | CYP2C19 (0.50) | CYP2C19ALDH1A1CYP4F2CYP4A11TBXAS1 | |
| SCHEMBL17592304 | 0.78 | CYP2C19 (0.50) | CYP2C19TSHRALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL4277564 | 0.77 | CYP2C19 (0.52) | CYP2C19TSHRCYP4F2CYP4A11MEN1 | |
| SCHEMBL9183856 | 0.76 | CYP2C19 (0.61) | CYP2C19TSHRALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL8175537 | 0.76 | CYP2C19 (0.42) | CYP2C19TSHRALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL887735 | 0.75 | CYP2C19 (0.56) | CYP2C19TSHRCYP4F2CYP4A11MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011061590-A1 | NOVEL CARBOXAMIDE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2011-05-26 | — | — | WO | disclosed |
| WO-2011061590-A1 | NOVEL CARBOXAMIDE DERIVATIVES AS HIV INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2011-05-26 | — | — | WO | disclosed |