Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.31 |
| ▸ | SCN1A | P35498 | 1/20 | 0.30 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.30 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.30 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.30 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL28243194 | 0.73 | MKNK1 (0.38) | MKNK1EPHX2 | |
| SCHEMBL7132304 | 0.70 | CXCR4 (0.50) | SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL7880818 | 0.67 | FABP1 (0.65) | SMN1; SMN2CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL2105071 | 0.65 | — | — | |
| SCHEMBL29288613 | 0.65 | — | — | |
| SCHEMBL11862008 | 0.65 | — | — | |
| SCHEMBL14878578 | 0.65 | HTT (0.44) | SMN1; SMN2HTT | |
| SCHEMBL16522694 | 0.65 | KDM4E (0.61) | SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| Hydrochloric Acid SCHEMBL30481544 | 0.64 | CYP2C9 (0.51) | SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP1A2 | |
| SCHEMBL8770432 | 0.64 | HSP90AA1 (0.33) | CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4265613-A1 | BENZENE RING COMPOUND AND USE THEREOF | Nanjing Shijiang Medicine Technology Co., Ltd (CN) | 2023-10-25 | — | — | EP | disclosed |