Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Derenofylline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 known ✓ | P30542 | 3/20 | 0.87 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.87 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.87 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.87 |
| ▸ | ACP1 | P24666 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 2/20 | 0.47 |
| ▸ | PAK4 | O96013 | 2/20 | 0.46 |
| ▸ | SGK1 | O00141 | 2/20 | 0.44 |
| ▸ | GBA1 | P04062 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Derenofylline SCHEMBL3913966 | 1.00 | ADORA1 (0.87) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| Derenofylline SCHEMBL24117119 | 0.93 | ADORA1 (1.00) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| Derenofylline SCHEMBL2832387 | 0.93 | ADORA1 (1.00) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| Derenofylline SCHEMBL2832386 | 0.93 | ADORA1 (1.00) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| SCHEMBL3913961 | 0.88 | ADORA1 (0.71) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| SCHEMBL3913962 | 0.88 | ADORA1 (0.71) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| SCHEMBL14590963 | 0.87 | ADORA1 (0.88) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| SCHEMBL14590962 | 0.87 | ADORA1 (0.88) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| SCHEMBL14590960 | 0.87 | ADORA1 (0.88) | ADORA1ADORA2AADORA3ADORA2BACP1 | |
| SCHEMBL14590972 | 0.87 | ADORA1 (0.88) | ADORA1ADORA2AADORA3ADORA2BACP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080027082-A1 | USE OF ADENOSINE A1 ANTAGONISTS IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY | SOLVAY PHARMACEUTICALS GMBH (DE) | 2008-01-31 | — | — | US | claimed |
| CN-101472593-A | Use of adenosine A1 antagonist in radiocontrast media induced nephropathy | SOLVAY PHARM GMBH (DE) | 2009-07-01 | — | — | CN | disclosed |
| EP-2035007-A1 | USE OF ADENOSINE A1 ANTAGONIST IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY | Solvay Pharmaceuticals GmbH (DE) | 2009-03-18 | — | — | EP | disclosed |
| US-20080027082-A1 | USE OF ADENOSINE A1 ANTAGONISTS IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY | SOLVAY PHARMACEUTICALS GMBH (DE) | 2008-01-31 | — | — | US | disclosed |
| WO-2007147809-A1 | USE OF ADENOSINE A1 ANTAGONIST IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY | SOLVAY PHARMACEUTICALS GMBH (DE) | 2007-12-27 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20080027082-A1 | USE OF ADENOSINE A1 ANTAGONISTS IN RADIOCONTRAST MEDIA INDUCED NEPHROPATHY | ADORA1, ADORA2A, ADORA3 | ADORA1 1/4885ADORA2A 2/4885ADORA3 3/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.