Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.70 |
| ▸ | ADORA2B | P29275 | 10/20 | 0.63 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.63 |
| ▸ | PDE4A | P27815 | 8/20 | 0.63 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.63 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.63 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | PDE2A | O00408 | 2/20 | 0.59 |
| ▸ | PDE1A | P54750 | 2/20 | 0.59 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.59 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.59 |
| ▸ | PDE5A | O76074 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | SCN1A | P35498 | 1/20 | 0.59 |
| ▸ | PDE6C | P51160 | 1/20 | 0.59 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| SCHEMBL7455363 | 0.85 | ADORA2A (0.72) | CFTRADORA2BADORA2APDE4APDE4B | |
| SCHEMBL239725 | 0.82 | CFTR (1.00) | CFTRADORA2BADORA2APDE4APDE4B | |
| SCHEMBL7608745 | 0.82 | ADORA2B (0.71) | CFTRADORA2BADORA2APDE4APDE4B | |
| SCHEMBL7605748 | 0.82 | ADORA2B (0.63) | CFTRADORA2BADORA2APDE4APDE4B | |
| SCHEMBL28468033 | 0.81 | CFTR (0.77) | CFTRADORA2BADORA2APDE4APDE4B | |
| SCHEMBL27663197 | 0.80 | PDE4A (0.70) | CFTRADORA2BADORA2APDE4APDE4B | |
| SCHEMBL27598085 | 0.79 | PDE4A (0.75) | CFTRADORA2BADORA2APDE4APDE4B | |
| SCHEMBL7604273 | 0.79 | ADORA2B (0.72) | CFTRADORA2BADORA2APDE4APDE4B | |
| SCHEMBL7016029 | 0.78 | ADORA2A (1.00) | CFTRADORA2BADORA2APDE4APDE4B | |
| SCHEMBL9430480 | 0.77 | CFTR (0.71) | CFTRADORA2BADORA2APDE4APDE4B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6214992-B1 | THEOPHYLLINE DERIVATIVES HAVING AT LEAST ONE ETHER FUNCTION IN METHYL RADICAL; XANTHINE COMPOUNDS WITH THIS SUBSTITUTION PATTERN USED AS ANTISHOCK TREATMENT | HOECHST AKTIENGESELLSCHAFT (DE) | 2001-04-10 | — | — | US | claimed |
| EP-0812844-B1 | Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof | HOECHST AG (DE) | 2002-10-23 | — | — | EP | disclosed |
| US-6214992-B1 | THEOPHYLLINE DERIVATIVES HAVING AT LEAST ONE ETHER FUNCTION IN METHYL RADICAL; XANTHINE COMPOUNDS WITH THIS SUBSTITUTION PATTERN USED AS ANTISHOCK TREATMENT | HOECHST AKTIENGESELLSCHAFT (DE) | 2001-04-10 | — | — | US | disclosed |
| EP-0812844-A2 | Use of theophyllin derivatives for the treatment and prophylaxis fo shock conditions, novel xanthine compounds and processes for the production thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-17 | — | — | EP | disclosed |