Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | AR | P10275 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9723277 | 0.98 | ALDH1A1 (0.58) | ALDH1A1HPGDAR | |
| SCHEMBL9723142 | 0.90 | ALDH1A1 (0.44) | ALDH1A1HPGDAR | |
| SCHEMBL10416796 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HPGDAR | |
| SCHEMBL9405959 | 0.84 | AR (0.45) | ALDH1A1HPGDAR | |
| SCHEMBL10417949 | 0.84 | HPGD (0.45) | ALDH1A1HPGD | |
| SCHEMBL10416694 | 0.84 | HPGD (0.45) | ALDH1A1HPGD | |
| SCHEMBL10417117 | 0.84 | HPGD (0.45) | ALDH1A1HPGD | |
| SCHEMBL15087089 | 0.84 | ALDH1A1 (0.43) | ALDH1A1HPGD | |
| SCHEMBL9706357 | 0.83 | ALDH1A1 (0.45) | ALDH1A1HPGD | |
| SCHEMBL9710347 | 0.83 | ALDH1A1 (0.45) | ALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5087764-A | Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile | Merck Patent Gesellschaft mit beschrankter Hafung (DE) | 1992-02-11 | — | — | US | disclosed |
| CN-1037327-A | Preparation 2, the method for 3-phenyl-difluoride class | MERCK PATENT GMBH (DE) | 1989-11-22 | — | — | CN | disclosed |