Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 18/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21350530 | 0.87 | SLC22A12 (0.50) | SLC22A12 | |
| SCHEMBL21350626 | 0.85 | SLC22A12 (0.50) | SLC22A12 | |
| SCHEMBL21350627 | 0.84 | SLC22A12 (0.39) | SLC22A12 | |
| SCHEMBL21350512 | 0.83 | SLC22A12 (0.52) | SLC22A12 | |
| SCHEMBL21350528 | 0.83 | SLC22A12 (0.53) | SLC22A12CYP3A4CYP2C9CNR1CNR2 | |
| SCHEMBL21350300 | 0.82 | SLC22A12 (0.38) | SLC22A12CYP3A4CYP2C9 | |
| SCHEMBL28408879 | 0.78 | SLC22A12 (0.49) | SLC22A12CYP3A4CYP2C9 | |
| SCHEMBL28416803 | 0.77 | SLC22A12 (0.55) | SLC22A12CYP3A4CYP2C9 | |
| SCHEMBL21350295 | 0.76 | SLC22A12 (0.54) | SLC22A12 | |
| SCHEMBL21331893 | 0.74 | SLC22A12 (0.67) | SLC22A12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019169890-A1 | 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF | 南方医科大学 | 2019-09-12 | — | — | WO | disclosed |