Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.41 |
| ▸ | IP6K1 | Q92551 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | MGMT | P16455 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30150726 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL29404312 | 0.83 | CYP3A4 (0.67) | CYP3A4CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL101669 | 0.83 | CYP3A4 (0.67) | CYP3A4CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL16146796 | 0.81 | HTT (0.63) | CYP3A4CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL546067 | 0.81 | HTT (0.43) | CYP3A4CYP1A2CYP2D6CYP2C19HDAC1 | |
| SCHEMBL101602 | 0.81 | HTT (0.67) | CYP3A4CYP1A2CYP2D6HDAC1HDAC2 | |
| SCHEMBL29359033 | 0.81 | HTT (0.67) | CYP3A4CYP1A2CYP2D6HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL30150738 | 0.80 | HTT (0.65) | CYP3A4CYP1A2CYP2D6HDAC1HDAC2 | |
| SCHEMBL16146881 | 0.78 | ADORA3 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C19HTT | |
| SCHEMBL16146620 | 0.78 | CYP1A2 (0.47) | CYP3A4CYP1A2CYP2D6CYP2C19HDAC1 |
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-112105627-B | Unnatural base pair compositions and methods of use | 斯克利普斯研究所 | 2024-07-02 | — | — | CN | claimed |