Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.48 |
| ▸ | PPARD | Q03181 | 4/20 | 0.48 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.43 |
| ▸ | PPARA | Q07869 | 3/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9475444 | 0.90 | CYP1A2 (0.52) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9477146 | 0.90 | CYP1A2 (0.52) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9476529 | 0.88 | CYP1A2 (0.50) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9476709 | 0.87 | PTPN11 (0.50) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9477572 | 0.87 | PTPN11 (0.50) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9475785 | 0.87 | PTPN11 (0.50) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL11036110 | 0.81 | TDP1 (0.54) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9479095 | 0.78 | NAAA (0.42) | FFAR1PPARDFFAR4MAPT | |
| SCHEMBL5600220 | 0.77 | CYP2C9 (0.61) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9484876 | 0.77 | L3MBTL1 (0.53) | FFAR1PPARDPTGS2MAPTRXRA |
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 |
|---|---|---|---|---|---|---|---|
| US-5182047-A | FLUORINATED BIPHENYLDIOLE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1993-01-26 | — | — | US | disclosed |