Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SDHB | P21912 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3354322 | 0.81 | PTGS1 (0.38) | CYP3A4ACHEPTGS1PTGS2ALDH1A1 | |
| SCHEMBL3349136 | 0.81 | CA2 (0.36) | ALDH1A1DRD2DRD1DRD4DRD5 | |
| SCHEMBL3347813 | 0.80 | CA2 (0.39) | MMP2CYP3A4ACHEPTGS1PTGS2 | |
| SCHEMBL3354265 | 0.74 | HTT (0.45) | L3MBTL1CYP3A4CYP2C19ALDH1A1GAA | |
| Trifluoromethanesulfonic Acid SCHEMBL8736577 | 0.73 | GPR3 (0.47) | MMP2L3MBTL1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL167959 | 0.73 | PPARG (0.54) | L3MBTL1ACHEPTGS1PPARGALDH1A1 | |
| Iodide SCHEMBL8736405 | 0.71 | PPARG (0.53) | L3MBTL1ACHEPTGS1PPARGALDH1A1 | |
| SCHEMBL1516190 | 0.70 | CA1 (0.40) | ACHEALDH1A1GAA | |
| SCHEMBL2569584 | 0.70 | PKM (0.41) | MMP2PTGS1PTGS2ALDH1A1GAA | |
| SCHEMBL3686067 | 0.69 | CA1 (0.42) | PTGS1ALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010066357-A1 | BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-06-17 | — | — | WO | disclosed |