Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | RARB | P10826 | 6/20 | 0.48 |
| ▸ | RARA | P10276 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | PPARD | Q03181 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | RARG | P13631 | 1/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL9477572 | 1.00 | PTPN11 (0.50) | PTPN11CYP1A2GAACYP2C9PKM | |
| SCHEMBL9475785 | 1.00 | PTPN11 (0.50) | PTPN11CYP1A2GAACYP2C9PKM | |
| SCHEMBL9476529 | 0.99 | CYP1A2 (0.50) | PTPN11CYP1A2GAACYP2C9PKM | |
| SCHEMBL9477146 | 0.96 | CYP1A2 (0.52) | PTPN11CYP1A2GAACYP2C9PKM | |
| SCHEMBL9475444 | 0.92 | CYP1A2 (0.52) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9475894 | 0.87 | CYP1A2 (0.55) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL8881964 | 0.83 | RARB (0.62) | CYP1A2GAACYP2C9PKMCYP2C19 | |
| SCHEMBL9152857 | 0.81 | RARB (0.53) | PTPN11CYP1A2CYP2C9CYP2C19RARB | |
| SCHEMBL10339089 | 0.81 | RARB (0.53) | PTPN11CYP1A2CYP2C9CYP2C19RARB | |
| SCHEMBL9399556 | 0.81 | THRA (0.52) | PTPN11RARBRARAPTPN1PTPN6 |
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 |