Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.82 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.82 |
| ▸ | PDE4A | P27815 | 2/20 | 0.74 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.74 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.74 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.74 |
| ▸ | ADORA2B | P29275 | 10/20 | 0.71 |
| ▸ | LMNA | P02545 | 3/20 | 0.71 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.63 |
| ▸ | ESR1 | P03372 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | ACHE | P22303 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| Lomifylline SCHEMBL1649451 | 0.90 | RXFP1 (1.00) | MAPK1RXFP1PDE4APDE4BPDE4C | |
| SCHEMBL9296212 | 0.88 | ADORA2B (0.76) | MAPK1RXFP1ADORA2BLMNAMAPT | |
| SCHEMBL11205608 | 0.87 | PDE4A (0.74) | MAPK1RXFP1PDE4APDE4BPDE4C | |
| SCHEMBL11531219 | 0.87 | ADORA2B (0.78) | MAPK1RXFP1PDE4APDE4BPDE4C | |
| SCHEMBL16120984 | 0.86 | ADORA2B (0.81) | MAPK1RXFP1ADORA2BLMNAMAPT | |
| SCHEMBL11076150 | 0.86 | RXFP1 (0.62) | MAPK1RXFP1PDE4APDE4BPDE4C | |
| SCHEMBL3860920 | 0.85 | SMN1; SMN2 (0.78) | MAPK1RXFP1ADORA2BLMNAMAPT | |
| Etofylline SCHEMBL149271 | 0.83 | ADORA2B (1.00) | MAPK1RXFP1PDE4APDE4BPDE4C | |
| SCHEMBL4516866 | 0.83 | ADORA2B (1.00) | MAPK1RXFP1ADORA2BLMNAMAPT | |
| SCHEMBL9842692 | 0.83 | PDE4A (0.63) | MAPK1RXFP1PDE4APDE4BPDE4C |
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-4542137-A | NONEXPLOSIVE, CARDIOVASCULAR | DR. WILLMAR SCHWABE GMBH & CO. (DE) | 1985-09-17 | — | — | US | disclosed |
| US-4535158-A | CHEMICXAL INTERMEDIATES FOR CARDIOTONIC AGENTS | DR. WILLMAR SCHWABE GMBH & CO. | 1985-08-13 | — | — | US | disclosed |
| EP-0044932-B1 | OPTIONALLY N-SUBSTITUTED AMINO-DEOXY-1,4;3,6-DIANHYDRO-HEXITE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR APPLICATION | Dr. Willmar Schwabe GmbH & Co. (DE) | 1985-04-03 | — | — | EP | disclosed |
| EP-0044927-B1 | ALKYLAMINO-DESOXY-1,4;3,6-DIANHYDRO-HEXITE-NITRATE SUBSTITUTED BY PURINE BASES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL COMPOSITIONS | Dr. Willmar Schwabe GmbH & Co. (DE) | 1984-11-28 | — | — | EP | disclosed |
| US-4413122-A | Optionally N-substituted aminodesoxy-1.4;3.6-dianhydrohexitol derivatives | FA. WILMAR SCHWABE GMBH & CO. (DE) | 1983-11-01 | — | — | US | disclosed |
| EP-0044927-A1 | Alkylamino-desoxy-1,4;3,6-dianhydro-hexite-nitrate substituted by purine bases, process for their preparation and their pharmaceutical compositions | Dr. Willmar Schwabe GmbH & Co. (DE) | 1982-02-03 | — | — | EP | disclosed |
| EP-0044932-A1 | Optionally N-substituted amino-deoxy-1,4;3,6-dianhydro-hexite derivatives, processes for their preparation and their application | Dr. Willmar Schwabe GmbH & Co. (DE) | 1982-02-03 | — | — | EP | disclosed |