Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 15/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.36 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL28415065 | 0.80 | SLC22A12 (0.61) | SLC22A12CYP19A1SLC22A6SLC22A11ABCG2 | |
| Cyanide SCHEMBL21331866 | 0.79 | TLR8 (0.41) | TDP1L3MBTL1 | |
| SCHEMBL21350635 | 0.78 | SLC22A12 (0.54) | SLC22A12SLC22A6SLC22A11ABCG2 | |
| SCHEMBL21331822 | 0.76 | SLC22A12 (0.56) | SLC22A12CYP19A1NCOA3SLC22A6SLC22A11 | |
| SCHEMBL21350516 | 0.76 | SLC22A12 (0.56) | SLC22A12CYP19A1NCOA3SLC22A6SLC22A11 | |
| SCHEMBL21350513 | 0.76 | SLC22A12 (0.58) | SLC22A12CYP19A1NCOA3SLC22A6SLC22A11 | |
| SCHEMBL6472029 | 0.75 | CYP2E1 (0.48) | PTGDR2TDP1L3MBTL1HTT | |
| SCHEMBL9036398 | 0.74 | TDP1 (0.46) | PTGDR2TDP1L3MBTL1HTT | |
| SCHEMBL23768500 | 0.73 | TDP1 (0.52) | PTGDR2TDP1L3MBTL1HTT | |
| SCHEMBL10598588 | 0.73 | TDP1 (0.52) | PTGDR2TDP1L3MBTL1HTT |
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 |