Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.42 |
| ▸ | PRKCG | P05129 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12271 | 0.98 | KDM4E (0.59) | KDM4ECYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL256939 | 0.81 | CYP2A6 (0.54) | KDM4ECYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL30824479 | 0.81 | CYP2A6 (0.54) | KDM4ECYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL24622040 | 0.77 | ALDH1A1 (0.49) | KDM4ECYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL6240424 | 0.76 | LMNA (0.63) | KDM4ECYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL10200877 | 0.76 | KDM4E (0.42) | KDM4ECYP1A2LMNACYP3A4CYP2D6 | |
| O-Xylene SCHEMBL1420050 | 0.75 | ALDH1A1 (0.47) | KDM4ECYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL7948611 | 0.74 | KDM4E (0.61) | KDM4ECYP1A2LMNACYP3A4CYP2D6 | |
| SCHEMBL28317268 | 0.73 | CYP2A6 (0.68) | KDM4ECYP1A2LMNACYP2D6CYP2C9 | |
| O-Xylene SCHEMBL1419807 | 0.73 | CCR1 (0.50) | KDM4ECYP1A2LMNACYP3A4CYP2D6 |
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-109776412-B | Synthesis method of N oxide | 陕西大生制药科技有限公司 | 2022-12-13 | — | — | CN | disclosed |