Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CUL4A | Q13619 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8561725 | 0.81 | CYP1A2 (0.38) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL10766497 | 0.76 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL8558746 | 0.75 | KDM4E (0.46) | CYP1A2CYP3A4CYP2C19KDM4EKMT2A | |
| SCHEMBL8556453 | 0.74 | CYP1A2 (0.36) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL5165286 | 0.72 | KDM4E (0.33) | CYP1A2CYP3A4CYP2C19KDM4ELMNA | |
| SCHEMBL9635290 | 0.71 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL29376920 | 0.71 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2C19CLEC4MKDM4E | |
| SCHEMBL8556198 | 0.70 | MEN1 (0.39) | KDM4EKMT2AMEN1LMNAMAPT | |
| SCHEMBL7218429 | 0.70 | NQO2 (0.40) | CYP1A2CYP2C19KMT2AMEN1LMNA | |
| SCHEMBL8318286 | 0.70 | LMNA (0.35) | CYP1A2CYP3A4CYP2C19KDM4EKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0828715-A1 | N-OXIDES AS ANTIBACTERIAL AGENTS | BAYER AG (DE) | 1998-03-18 | — | — | EP | disclosed |
| WO-1996038417-A1 | N-OXIDES AS ANTIBACTERIAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-12-05 | — | — | WO | disclosed |