Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
| ▸ | PRCP | P42785 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6006940 | 0.74 | MEN1 (0.39) | CYP2A6PARP10PARP11ALDH1A1MAPK1 | |
| Ethylene SCHEMBL27763808 | 0.72 | ALDH1A1 (0.46) | CYP2A6HNF4AALDH1A1HSD17B10HPGD | |
| SCHEMBL192418 | 0.71 | ALDH1A1 (0.50) | CYP2A6HNF4AALDH1A1HSD17B10HPGD | |
| SCHEMBL29370260 | 0.70 | CES1 (0.54) | CYP2A6PARP10PARP11ALDH1A1HPGD | |
| SCHEMBL66102 | 0.70 | CES1 (0.54) | CYP2A6PARP10PARP11ALDH1A1HPGD | |
| Formaldehyde SCHEMBL28028777 | 0.70 | HNF4A (0.48) | CYP2A6HNF4APARP10PARP11ALDH1A1 | |
| SCHEMBL2806539 | 0.69 | ALDH1A1 (0.48) | CYP2A6HNF4AALDH1A1HSD17B10HPGD | |
| Water SCHEMBL432858 | 0.69 | ALDH1A1 (0.48) | CYP2A6HNF4AALDH1A1HSD17B10HPGD | |
| Ammonia Solution, Strong SCHEMBL21647364 | 0.69 | ALDH1A1 (0.48) | CYP2A6HNF4AALDH1A1HSD17B10HPGD | |
| Phosphine SCHEMBL10935474 | 0.69 | ALDH1A1 (0.48) | CYP2A6HNF4AALDH1A1HSD17B10HPGD |
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-4460547-A | Separating actinide ions from aqueous, basic, carbonate containing solutions using mixed tertiary and quaternary amino anion exchange resins | KERNFORSCHUNGSZENTRUM KARLSRUHE GMBH (DE) | 1984-07-17 | — | — | US | disclosed |