Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | IMPDH2 | P12268 | 11/20 | 0.41 |
| ▸ | IMPDH1 | P20839 | 10/20 | 0.41 |
| ▸ | NAMPT | P43490 | 3/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28212009 | 0.76 | NAMPT (0.38) | CYP3A4NAMPTACACB | |
| SCHEMBL16294775 | 0.75 | ALDH1A1 (0.46) | GAATSHR | |
| SCHEMBL31043615 | 0.74 | POLB (0.43) | CYP3A4IMPDH2IMPDH1NAMPT | |
| SCHEMBL29211734 | 0.72 | CYP1A2 (0.39) | CYP3A4GAACYP1A2CYP2C19 | |
| SCHEMBL13244840 | 0.71 | RAB9A (0.54) | NAMPT | |
| SCHEMBL27838632 | 0.71 | TYR (0.42) | CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL18475140 | 0.71 | NAMPT (0.46) | NAMPT | |
| SCHEMBL27707523 | 0.71 | KDM4E (0.40) | CYP3A4GAACYP1A2CYP2C19 | |
| SCHEMBL27838554 | 0.71 | TYR (0.42) | GAA | |
| SCHEMBL27604820 | 0.70 | HPGD (0.43) | GAACYP1A2CYP2C19TSHR |
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-107949558-A | Muscarinic agonists | 赫普泰雅治疗有限公司 | 2018-04-20 | — | — | CN | disclosed |