Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.64 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.60 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28352484 | 0.83 | SLC6A4 (0.81) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| SCHEMBL8515123 | 0.82 | SLC6A4 (0.74) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| Hydrochloric Acid SCHEMBL8535387 | 0.81 | SLC6A4 (0.68) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| Safrolglycol SCHEMBL29368350 | 0.81 | CYP3A4 (1.00) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| Safrolglycol SCHEMBL11447270 | 0.81 | CYP3A4 (1.00) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| Safrolglycol SCHEMBL7510518 | 0.81 | CYP3A4 (1.00) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| SCHEMBL19342841 | 0.80 | TAAR1 (0.66) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| Dihydrocubebin SCHEMBL15775181 | 0.79 | CYP3A4 (1.00) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| SCHEMBL6154272 | 0.79 | CYP3A4 (0.75) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 | |
| Dihydrocubebin SCHEMBL12488032 | 0.79 | CYP3A4 (1.00) | CYP3A4CYP2D6SLC6A4TAAR1SLC6A2 |
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-105792670-B | Organic compounds | 奇华顿股份有限公司 | 2021-02-05 | — | — | CN | disclosed |