Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | PDE4A | P27815 | 4/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.52 |
| ▸ | BRD4 | O60885 | 7/20 | 0.49 |
| ▸ | BRD2 | P25440 | 2/20 | 0.49 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.49 |
| ▸ | BRDT | Q58F21 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9683380 | 0.93 | ADORA2A (0.62) | ALDH1A1MEN1KMT2APDE4AADORA2A | |
| SCHEMBL9682956 | 0.89 | SMN1; SMN2 (0.52) | ALDH1A1MEN1KMT2APDE4AADORA2A | |
| SCHEMBL10811479 | 0.84 | ADORA2A (0.44) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL10811527 | 0.83 | PDE4A (0.46) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL10810766 | 0.83 | ADORA2A (0.43) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL10814264 | 0.82 | ADORA2A (0.49) | PDE4AADORA2APDE4BPDE4CPDE4D | |
| SCHEMBL10813975 | 0.80 | PDE4A (0.46) | MEN1KMT2APDE4AADORA2APDE4B | |
| SCHEMBL17682330 | 0.77 | ALDH1A1 (0.58) | ALDH1A1MEN1KMT2APDE4AADORA2A | |
| SCHEMBL7031729 | 0.76 | MEN1 (0.87) | ALDH1A1MEN1KMT2APDE4AADORA2A | |
| SCHEMBL7464482 | 0.74 | PDE4A (0.86) | ALDH1A1MEN1KMT2APDE4AADORA2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5082845-A | Gastrointestinal | HOECHST JAPAN LIMITED (JP) | 1992-01-21 | — | — | US | disclosed |
| EP-0330031-B1 | THERAPEUTIC AGENTS FOR THE TREATMENT OF PEPTIC ULCER DISEASE | HOECHST JAPAN LIMITED (JP) | 1991-12-11 | — | — | EP | disclosed |
| EP-0330031-A1 | Therapeutic agents for the treatment of peptic ulcer disease | HOECHST JAPAN LIMITED (JP) | 1989-08-30 | — | — | EP | disclosed |
| US-4713455-A | FOR OBSTRUCTIVE DISORDERS OF THE RESPIRATORY TRACT | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-12-15 | — | — | US | disclosed |
| US-4616020-A | TREATING OBSTRUCTIVE RESPIRATORY DISEASES | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-10-07 | — | — | US | disclosed |
| EP-0075850-B1 | PHARMACEUTICAL PREPARATIONS CONTAINING VICINAL DIHYDROXYALKYL XANTHINES, PROCESS FOR THE PREPARATION OF THE XANTHINES AND THE APPROPRIATE INTERMEDIATES THEREFOR | HOECHST AKTIENGESELLSCHAFT (DE) | 1985-12-18 | — | — | EP | disclosed |
| EP-0075850-A2 | Pharmaceutical preparations containing vicinal dihydroxyalkyl xanthines, process for the preparation of the xanthines and the appropriate intermediates therefor | HOECHST AKTIENGESELLSCHAFT (DE) | 1983-04-06 | — | — | EP | disclosed |