Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | USP1 | O94782 | 1/20 | 0.38 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 14/20 | 0.36 |
| ▸ | TCF7L2 | Q9NQB0 | 14/20 | 0.36 |
| ▸ | VNN1 | O95497 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27655538 | 0.91 | ACHE (0.39) | SMN1; SMN2USP1WDR48CTNNB1TCF7L2 | |
| SCHEMBL27675428 | 0.87 | KDM4E (0.43) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27655434 | 0.87 | KDM4E (0.42) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27655551 | 0.87 | KDM4E (0.38) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27655552 | 0.86 | ACHE (0.45) | KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL27675443 | 0.84 | PDE5A (0.45) | — | |
| SCHEMBL27655445 | 0.83 | ATG4B (0.41) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27655447 | 0.83 | PDE4A (0.45) | ALDH1A1 | |
| SCHEMBL27655527 | 0.77 | KDM4E (0.52) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27675416 | 0.77 | ACHE (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1875023-A | Use of thienopyrimidines | MERCK PATENT GMBH (DE) | 2006-12-06 | — | — | CN | disclosed |