Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.56 |
| ▸ | DRD4 | P21917 | 2/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | HTR5A | P47898 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 2/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.46 |
| ▸ | DRD5 | P21918 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13131189 | 1.00 | DRD2 (0.56) | DRD2DRD4DRD3HTR5AACHE | |
| SCHEMBL13131190 | 1.00 | DRD2 (0.56) | DRD2DRD4DRD3HTR5AACHE | |
| Hydrochloric Acid SCHEMBL2816538 | 0.98 | ACHE (0.58) | DRD2DRD4DRD3HTR5AACHE | |
| Hydrochloric Acid SCHEMBL2816537 | 0.98 | ACHE (0.58) | DRD2DRD4DRD3HTR5AACHE | |
| Hydrochloric Acid SCHEMBL31186914 | 0.98 | ACHE (0.58) | DRD2DRD4DRD3HTR5AACHE | |
| Hydrochloric Acid SCHEMBL2817315 | 0.98 | ACHE (0.58) | DRD2DRD4DRD3HTR5AACHE | |
| SCHEMBL4995159 | 0.84 | ACHE (0.48) | DRD2DRD4DRD3HTR5AACHE | |
| SCHEMBL11630296 | 0.83 | DRD2 (0.57) | DRD2DRD4DRD3HTR5ADRD1 | |
| Hydrochloric Acid SCHEMBL4995154 | 0.82 | ACHE (0.50) | DRD2DRD4DRD3HTR5AACHE | |
| Hydrochloric Acid SCHEMBL4048342 | 0.82 | ACHE (0.50) | DRD2DRD4DRD3HTR5AACHE |
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 |