Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | MPL | P40238 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL9631085 | 1.00 | CHKA (0.36) | CHKARARBCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9630542 | 0.99 | RARB (0.36) | CHKARARBCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9631138 | 0.99 | RARB (0.36) | CHKARARBCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9630549 | 0.99 | RARB (0.36) | CHKARARBCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9631144 | 0.99 | RARB (0.36) | CHKARARBCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9630252 | 0.93 | MAOA (0.36) | CHKARARBCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9406345 | 0.93 | RARB (0.41) | CHKARARBS1PR3FAAHMPL | |
| SCHEMBL9406350 | 0.93 | RARB (0.41) | CHKARARBS1PR3FAAHMPL | |
| SCHEMBL9630249 | 0.93 | MAOA (0.36) | CHKARARBCYP3A4CYP2C8CYP2D6 | |
| SCHEMBL9630358 | 0.92 | RARB (0.43) | RARBS1PR3MAPTFAAHKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0364538-B1 | DIFLUOROBENZOL DERIVATIVES | MERCK PATENT GmbH (DE) | 1992-05-06 | — | — | EP | disclosed |