Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TTR | P02766 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PAK4 | O96013 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11282565 | 0.84 | ALDH1A1 (0.39) | ALDH1A1CYP1A2SMN1; SMN2CLK4DAPK3 | |
| SCHEMBL11282599 | 0.83 | ALDH1A1 (0.55) | ALDH1A1CES1KMT2AGAAKDM4E | |
| SCHEMBL29583687 | 0.83 | CASP3 (0.40) | ALDH1A1TTRCES1CYP1A2SMN1; SMN2 | |
| SCHEMBL5937266 | 0.79 | ALDH1A1 (0.66) | ALDH1A1TTRCES1BRPF1CYP1A2 | |
| SCHEMBL11277353 | 0.76 | ADK (0.41) | ALDH1A1TTRCES1BRPF1BRD4 | |
| SCHEMBL11281483 | 0.75 | CYP1A2 (0.60) | ALDH1A1CYP1A2SMN1; SMN2CLK4DAPK3 | |
| SCHEMBL7982510 | 0.73 | TTR (0.55) | ALDH1A1TTRCES1BRPF1SMN1; SMN2 | |
| SCHEMBL11526334 | 0.72 | ALDH1A1 (0.42) | ALDH1A1TTRCES1BRPF1SMN1; SMN2 | |
| SCHEMBL2181139 | 0.72 | ALDH1A1 (0.40) | ALDH1A1TSHR | |
| SCHEMBL29531391 | 0.71 | MAPK7 (0.49) | TTRCES1CASP3TNK2BRD4 |
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-4311700-A | ANTIULCER, GASTROINTESTINAL DISORDERS | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1982-01-19 | — | — | US | disclosed |
| WO-1981000568-A1 | BENZODIAZEPINONES,A PROCESS FOR THEIR PREPARATION,THEIR USE AND MEDICAMENTS CONTAINING THEM | BYK GULDEN LOMBERG CHEM FAB (DE) | 1981-03-05 | — | — | WO | disclosed |