Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 17/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.38 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.38 |
| ▸ | SLC2A9 | Q9NRM0 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21331822 | 0.83 | SLC22A12 (0.56) | SLC22A12CYP19A1NCOA3HTTSLC22A6 | |
| SCHEMBL21350513 | 0.83 | SLC22A12 (0.58) | SLC22A12CYP19A1NCOA3HTTSLC22A6 | |
| SCHEMBL28415065 | 0.77 | SLC22A12 (0.61) | SLC22A12CYP19A1SLC22A6SLC22A11SLC2A9 | |
| SCHEMBL28536960 | 0.77 | SLC22A12 (0.56) | SLC22A12NCOA3SLC22A6SLC22A11ABCG2 | |
| SCHEMBL21331865 | 0.76 | SLC22A12 (0.52) | SLC22A12CYP19A1NCOA3HTTSLC22A6 | |
| SCHEMBL28408866 | 0.76 | SLC22A12 (0.49) | SLC22A12CYP19A1NCOA3HTTSLC22A6 | |
| SCHEMBL21350889 | 0.75 | SLC22A12 (0.70) | SLC22A12SLC22A6SLC22A11SLC2A9ABCG2 | |
| SCHEMBL21333885 | 0.75 | SLC22A12 (0.53) | SLC22A12CYP19A1NCOA3SLC22A6SLC22A11 | |
| SCHEMBL21350515 | 0.75 | SLC22A12 (0.59) | SLC22A12CYP19A1SLC22A6SLC22A11ABCG2 | |
| SCHEMBL21350535 | 0.72 | SLC22A12 (0.66) | SLC22A12SLC22A6SLC22A11ABCG2 |
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 |