Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | RARB | P10826 | 2/20 | 0.51 |
| ▸ | RARA | P10276 | 1/20 | 0.51 |
| ▸ | PPARD | Q03181 | 3/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9476529 | 0.98 | CYP1A2 (0.50) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9475785 | 0.96 | PTPN11 (0.50) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9477572 | 0.96 | PTPN11 (0.50) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9476709 | 0.96 | PTPN11 (0.50) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9475444 | 0.95 | CYP1A2 (0.52) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9475894 | 0.90 | CYP1A2 (0.55) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9399442 | 0.81 | S1PR1 (0.51) | CYP1A2CYP2C9CYP2C19RARBRARA | |
| SCHEMBL8881964 | 0.80 | RARB (0.62) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9399572 | 0.80 | S1PR1 (0.49) | CYP1A2CYP2C9CYP2C19RARBRARA | |
| SCHEMBL9478161 | 0.79 | RARA (0.41) | RARBRARAS1PR1PTPN11FFAR4 |
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 |