Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30853881 | 0.89 | BRD4 (0.52) | PARP1KEAP1NFE2L2BCAT2ALDH1A1 | |
| SCHEMBL6812230 | 0.83 | PARP1 (0.40) | PARP1KEAP1NFE2L2BCAT2ALDH1A1 | |
| SCHEMBL31129280 | 0.83 | PARP1 (0.40) | PARP1KEAP1NFE2L2ALDH1A1GAA | |
| SCHEMBL23116537 | 0.83 | PARP1 (0.40) | PARP1KEAP1NFE2L2ALDH1A1GAA | |
| SCHEMBL31032281 | 0.82 | ALDH1A1 (0.47) | ALDH1A1GAAHSD17B10MAPTTSHR | |
| SCHEMBL569778 | 0.82 | ALDH1A1 (0.47) | ALDH1A1GAAHSD17B10MAPTTSHR | |
| Hydrochloric Acid SCHEMBL6808364 | 0.81 | PARP1 (0.39) | PARP1KEAP1NFE2L2ALDH1A1GAA | |
| SCHEMBL11131477 | 0.78 | AKR1C3 (0.50) | PARP1ALDH1A1GAAKDM4EMAPT | |
| SCHEMBL4819056 | 0.78 | KEAP1 (0.54) | KEAP1ALDH1A1GAAKDM4EHPGD | |
| SCHEMBL7406575 | 0.77 | PTPRC (0.50) | ALDH1A1GAAKDM4EHSD17B10MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210108245-A1 | Enantioselective Biocatalytic Preparation of 4-Cyano-Substituted 1-Aminoindane and Ozanimod | PHARMAZELL GMBH (DE) | 2021-04-15 | — | — | US | disclosed |
| WO-2019197571-A1 | ENANTIOSELECTIVE BIOCATALYTIC PREPARATION OF 4-CYANO-SUBSTITUTED 1-AMINOINDANE AND OZANIMOD | UNIVERSITÄT BIELEFELD (DE) | 2019-10-17 | — | — | WO | disclosed |
| EP-3553179-A1 | ENANTIOSELECTIVE BIOCATALYTIC PREPARATION OF 4-CYANO-SUBSTITUTED 1-AMINOINDANE AND OZANIMOD | Universität Bielefeld (DE) | 2019-10-16 | — | — | EP | disclosed |