Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2778902 | 0.91 | CYP3A4 (0.44) | CYP3A4ADORA2BADORA2ACYP1A2CYP2D6 | |
| SCHEMBL3980944 | 0.85 | MEN1 (0.45) | CYP3A4ADORA2BADORA2ACYP1A2CYP2D6 | |
| SCHEMBL4181999 | 0.82 | SMN1; SMN2 (0.40) | CYP3A4ADORA2ACYP1A2CYP2D6MAPT | |
| SCHEMBL4759502 | 0.78 | CYP3A4 (0.58) | CYP3A4ADORA2BADORA2ACYP1A2CYP2D6 | |
| SCHEMBL5443892 | 0.75 | GAA (0.43) | CYP3A4ADORA2BCYP1A2CYP2D6MAPT | |
| SCHEMBL3397649 | 0.73 | CASP6 (0.42) | ADORA2BADORA2ACASP6PDE4APDE4B | |
| SCHEMBL7356240 | 0.70 | ALDH1A1 (0.47) | CYP3A4ADORA2BADORA2ACYP1A2CASP6 | |
| SCHEMBL28662 | 0.70 | CYP3A4 (1.00) | CYP3A4ADORA2BADORA2ACYP1A2CYP2D6 | |
| SCHEMBL10616188 | 0.69 | CYP3A4 (0.50) | CYP3A4ADORA2BADORA2ACYP1A2CYP2D6 | |
| SCHEMBL9849014 | 0.69 | ALDH1A1 (0.42) | CYP3A4ADORA2BADORA2ACYP1A2CASP6 |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11049760-A | — | — | None | — | — | JP | disclosed |
| JP-2004131414-A | METHOD FOR PRODUCING NITROSOURACIL | MITSUI CHEMICALS INC | 2004-04-30 | — | — | JP | disclosed |
| JP-H1149760-A | PRODUCTION OF 6-AMINO-1,3-DIALKYL-5-NITROSOURACIL COMPOUND | NIPPON KAYAKU CO LTD | 1999-02-23 | — | — | JP | disclosed |
| US-5861405-A | A2-SELECTIVE ADENOSINE RECEPTOR ANTAGONIST AS ANTIDEPRESSANTS AND CNS STIMULANTS | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-01-19 | — | — | US | disclosed |
| 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 |
| EP-0686155-B1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL PHARMA INC (US) | 1998-07-29 | — | — | EP | disclosed |
| US-5734052-A | HYPOTENSIVE AGENTS, SEDATIVES, ANTISPASMODIC AGENTS AND VASODILATORS | MERRELL PHARMACEUTICALS INC. (US) | 1998-03-31 | — | — | US | disclosed |
| US-5696124-A | Xanthine derivatives with adenosine-antagonistic activity | BOEHRINGER INGELHEIM KG (DE) | 1997-12-09 | — | — | US | disclosed |
| US-5688802-A | TREATMENT OF ALZHEIMER'S DISEASE, ORGANIC BRAIN SYNDROME, PARKINSON'S DISEASE, SENILE DEMENTIA | BOEHRINGER INGELHEIM KG | 1997-11-18 | — | — | US | disclosed |
| WO-1994019349-A1 | XANTHINE DERIVATIVES AS ADENOSINE A1 RECEPTOR ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-09-01 | — | — | WO | disclosed |
| US-5175291-A | Reaction of 1,4-dioxaspiro 4,4!nonan-7-carboxylic acid with carbonyldiimidazole with 5,6-diamino-1,3-dipropyluracil in the presence of calcium hydroxide and hydroxylating | BOEHRINGER INGELHEIM KG (DE) | 1992-12-29 | — | — | US | disclosed |
| WO-1992007852-A1 | BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1992-05-14 | — | — | WO | disclosed |
| EP-0449175-A2 | Selective adenosine receptor agents | MERRELL PHARMACEUTICALS INC. (US) | 1991-10-02 | — | — | EP | disclosed |
| US-5047534-A | Xanthine derivatives; hyupotensive agents, cardiotonic agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-09-10 | — | — | US | disclosed |
| US-4772607-A | ALZHEIMER*S DISEASE, CNS STIMULANT, ANTIFIBRILLATORY, BRONCHODILATOR | WARNER-LAMBERT COMPANY (US) | 1988-09-20 | — | — | 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-4120947-A | Xanthine compounds and method of treating bronchospastic and allergic diseases | COOPER LABORATORIES, INC. (US) | 1978-10-17 | — | — | US | disclosed |
| US-4089959-A | Long-acting xanthine bronchodilators and antiallergy agents | COOPER LABORATORIES, INC. (US) | 1978-05-16 | — | — | US | disclosed |