Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9447165 | 0.81 | GRM2 (0.33) | — | |
| SCHEMBL9487368 | 0.79 | — | — | |
| SCHEMBL9631072 | 0.79 | CYP3A4 (0.30) | — | |
| SCHEMBL9630538 | 0.78 | CYP3A4 (0.31) | MAPTGAA | |
| SCHEMBL9631133 | 0.78 | CYP3A4 (0.31) | MAPTGAA | |
| SCHEMBL9630243 | 0.78 | RARB (0.33) | HSP90AB1 | |
| SCHEMBL9631304 | 0.78 | RARB (0.38) | — | |
| SCHEMBL9447356 | 0.78 | AR (0.32) | MAPT | |
| SCHEMBL9632665 | 0.77 | RARB (0.35) | MAPTGAA | |
| SCHEMBL9632544 | 0.77 | RARB (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0364538-B1 | DIFLUOROBENZOL DERIVATIVES | MERCK PATENT GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |
| EP-0364538-A1 | DIFLUOROBENZOL DERIVATIVES. | MERCK PATENT GMBH (DE) | 1990-04-25 | — | — | EP | disclosed |
| WO-1989008633-A1 | DIFLUOROBENZOL DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |