Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.41 |
| ▸ | PDE4A | P27815 | 5/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL242052 | 0.93 | ALDH1A1 (0.41) | ALDH1A1LMNANPSR1CASP6ADORA2B | |
| SCHEMBL13746372 | 0.92 | PDE4A (0.43) | ALDH1A1LMNANPSR1CASP6ADORA2B | |
| SCHEMBL7743865 | 0.90 | PDE4A (0.42) | ALDH1A1LMNANPSR1CASP6ADORA2B | |
| SCHEMBL1546702 | 0.88 | CASP6 (0.50) | ALDH1A1LMNANPSR1CASP6ADORA2B | |
| SCHEMBL7321137 | 0.88 | CASP6 (0.50) | ALDH1A1LMNANPSR1CASP6ADORA2B | |
| SCHEMBL8873522 | 0.83 | ALDH1A1 (0.49) | ALDH1A1LMNAADORA2BADORA2ACYP3A4 | |
| SCHEMBL13753866 | 0.82 | ADORA2B (0.40) | ALDH1A1LMNACASP6ADORA2BPDE4A | |
| SCHEMBL7781030 | 0.82 | PDE5A (0.48) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3239986 | 0.82 | NPSR1 (0.52) | ALDH1A1LMNANPSR1ADORA2BADORA2A | |
| SCHEMBL9729840 | 0.82 | ALDH1A1 (0.45) | ALDH1A1LMNAHSD17B10 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1041418-C | Xanthine derivatives as adenosine A1 receptor antagonists | MERRELL DOW PHARMA (US) | 1998-12-30 | — | — | CN | disclosed |
| US-5840729-A | ATTENUATING COGNITIVE DEFICIT | MERRELL PHARMACEUTICALS INC. (US) | 1998-11-24 | — | — | US | disclosed |
| US-5734052-A | HYPOTENSIVE AGENTS, SEDATIVES, ANTISPASMODIC AGENTS AND VASODILATORS | MERRELL PHARMACEUTICALS INC. (US) | 1998-03-31 | — | — | US | disclosed |
| US-5641784-A | ADENOSINE ANTAGONISTS; TREATMENT OF NERVOUS SYSTEM DISORDERS, ALZHEIMER'S DISEASE | BOEHRINGER INGELHEIM KG (DE) | 1997-06-24 | — | — | US | disclosed |
| EP-0697020-A1 | 8-SUBSTITUTED XANTHINES AS SELECTIVE ADENOSINE RECEPTOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1996-02-21 | — | — | EP | disclosed |
| EP-0686155-A1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-12-13 | — | — | EP | disclosed |
| WO-1994026744-A1 | 8-SUBSTITUTED XANTHINES AS SELECTIVE ADENOSINE RECEPTOR AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-24 | — | — | WO | disclosed |
| WO-1994019349-A1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-09-01 | — | — | WO | disclosed |
| EP-0487673-A1 | NEW XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) | 1992-06-03 | — | — | EP | disclosed |
| WO-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |
| WO-1992000297-A1 | NEW XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM KG (DE) | 1992-01-09 | — | — | WO | disclosed |
| US-5047534-A | Xanthine derivatives; hyupotensive agents, cardiotonic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-09-10 | — | — | US | disclosed |
| US-4769377-A | Adenosine receptor antagonists | THE JOHNS HOPKINS UNIVERSITY (US) | 1988-09-06 | — | — | US | disclosed |
| US-4593095-A | ADENOSINE RECEPTOR ANTAGONISTS | THE JOHNS HOPKINS UNIVERSITY (US) | 1986-06-03 | — | — | US | disclosed |
| US-4581451-A | ALKYLATION AND CYCLIZATION OF A URACIL COMPOUND | NESTEC S.A. (CH) | 1986-04-08 | — | — | US | disclosed |
| EP-0039780-B1 | DI- OR TRISUBSTITUTED XANTHINES WITH NEUROLEPTIC ACTIVITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1985-04-10 | — | — | EP | disclosed |
| US-4469698-A | SEDATIVES, TRANQUILIZERS | SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) | 1984-09-04 | — | — | US | disclosed |
| EP-0039780-A1 | Di- or trisubstituted xanthines with neuroleptic activity, process for their preparation and pharmaceutical preparations containing them | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 1981-11-18 | — | — | EP | disclosed |