Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | BLK | P51451 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9723200 | 0.98 | ALDH1A1 (0.56) | ALDH1A1HPGDAR | |
| SCHEMBL9723142 | 0.89 | ALDH1A1 (0.44) | ALDH1A1HPGDAR | |
| SCHEMBL10416694 | 0.86 | HPGD (0.45) | ALDH1A1HPGD | |
| SCHEMBL10417949 | 0.86 | HPGD (0.45) | ALDH1A1HPGD | |
| SCHEMBL10417117 | 0.86 | HPGD (0.45) | ALDH1A1HPGD | |
| SCHEMBL9710347 | 0.84 | ALDH1A1 (0.45) | ALDH1A1HPGDCHUKDAPK3JAK2 | |
| SCHEMBL9706445 | 0.84 | ALDH1A1 (0.45) | ALDH1A1HPGDCHUKDAPK3JAK2 | |
| SCHEMBL9706357 | 0.84 | ALDH1A1 (0.45) | ALDH1A1HPGDCHUKDAPK3JAK2 | |
| SCHEMBL10416796 | 0.84 | ALDH1A1 (0.43) | ALDH1A1HPGDAR | |
| SCHEMBL9405959 | 0.83 | AR (0.45) | ALDH1A1HPGDAR |
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-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 |