Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27586113 | 0.87 | GABRA1 (0.39) | CTSKCYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL27837868 | 0.85 | SMN1; SMN2 (0.39) | CTSKCYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL27737954 | 0.85 | CYP4F2 (0.41) | CTSKCYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL27839098 | 0.84 | CTSK (0.35) | CTSKCYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL27500366 | 0.82 | FDPS (0.46) | CTSKCYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL28272597 | 0.82 | NR3C2 (0.43) | CTSKKMT2ALMNAALDH1A1 | |
| SCHEMBL27852818 | 0.81 | RIPK1 (0.43) | CTSKMAPTKMT2ALMNAALDH1A1 | |
| SCHEMBL27668919 | 0.81 | ALDH1A1 (0.47) | CTSKKMT2ALMNAALDH1A1IDO1 | |
| SCHEMBL27724270 | 0.80 | CYP3A4 (0.35) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28183309 | 0.77 | L3MBTL1 (0.47) | CYP1A2CYP2C9MAPTKMT2ALMNA |
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-101421256-A | Thiadiazolidinone inhibitors of ptpase | NOVARTIS AG (CH) | 2009-04-29 | — | — | CN | disclosed |