Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10200876 | 1.00 | KDM4E (0.41) | KDM4ELMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10200877 | 0.84 | KDM4E (0.42) | KDM4ELMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7981283 | 0.79 | TOP2A (0.43) | KDM4ELMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL256939 | 0.76 | CYP2A6 (0.54) | KDM4ELMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30824479 | 0.76 | CYP2A6 (0.54) | KDM4ELMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL422347 | 0.74 | CYP2A6 (0.52) | KDM4ECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18266944 | 0.74 | CCR1 (0.32) | ALDH1A1 | |
| SCHEMBL3701838 | 0.74 | CYP1A2 (0.52) | KDM4ECYP1A2MAOAALDH1A1MAPT | |
| SCHEMBL17051668 | 0.74 | MAOA (0.45) | KDM4EMAOAHTTTNFPOLB | |
| O-Xylene SCHEMBL1420050 | 0.74 | ALDH1A1 (0.47) | KDM4ELMNACYP1A2CYP3A4CYP2D6 |
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-117069717-A | 2, 6-naphthyridine micromolecule derivative and preparation method thereof | 江汉大学 | 2023-11-17 | — | — | CN | disclosed |