Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 10/20 | 0.37 |
| ▸ | PDE5A | O76074 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27566511 | 0.89 | ADORA1 (0.50) | ADORA1ADORA2AADORA2BADORA3PDE5A | |
| SCHEMBL6555760 | 0.85 | ADORA1 (0.54) | ADORA1ADORA2AADORA2BADORA3MTOR | |
| SCHEMBL6049634 | 0.85 | MTOR (0.51) | ADORA1ADORA2AADORA2BADORA3MTOR | |
| SCHEMBL6574184 | 0.84 | ADORA2B (0.53) | ADORA1ADORA2AADORA2BADORA3MTOR | |
| SCHEMBL6135707 | 0.82 | ADORA3 (0.41) | ADORA1ADORA2AADORA2BADORA3MTOR | |
| SCHEMBL5860152 | 0.81 | ADORA1 (0.50) | ADORA1ADORA2AADORA2BADORA3MTOR | |
| SCHEMBL6554017 | 0.80 | ADORA2B (0.63) | ADORA1ADORA2AADORA2BADORA3MTOR | |
| SCHEMBL5616732 | 0.80 | ADORA2B (0.74) | ADORA1ADORA2AADORA2BADORA3MTOR | |
| SCHEMBL6049579 | 0.80 | ADORA1 (0.43) | ADORA1ADORA2AADORA2BADORA3MTOR | |
| SCHEMBL6555076 | 0.80 | ADORA2B (0.74) | ADORA1ADORA2AADORA2BADORA3MTOR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0970081-B1 | SUBSTITUTED (1,3-BIS(CYCLOHEXYLMETHYL)-1,2,3,6-TETRAHYDRO-2,6-DIOXO-9H-PURIN-8-YL)PHENYL DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS | GLAXO GROUP LTD (GB) | 2005-09-14 | — | — | EP | disclosed |
| CN-1140527-C | Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9H-purin-8-yl) phenyl derivatives, their preparation and use in treatment of inflammatory conditions and immune disorders | — | 2004-03-03 | — | — | CN | disclosed |
| US-6437124-B1 | XANTHINE DERIVATIVES WHICH INHIBIT EXPRESSION OF ADHESION MOLECULES ON HUMAN UMBILICAL VEIN ENDOTHELIAL CELL (HUVEC) MONOLAYERS AT VERY LOW CONCENTRATIONS | SMITHKLINE BEECHAM CORPORATION | 2002-08-20 | — | — | US | disclosed |
| US-6355646-B1 | IMMUNOLOGY TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS SEPTIC SHOCK | GLAXO WELLCOME INC. | 2002-03-12 | — | — | US | disclosed |
| CN-1252071-A | Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9H-purin-8-yl) phenyl derivatives, their preparation and use in treatment of inflammatory conditions and immune disorders | GLAXO GROUP LTD (GB) | 2000-05-03 | — | — | CN | disclosed |
| EP-0970081-A1 | SUBSTITUTED (1,3-BIS(CYCLOHEXYLMETHYL)-1,2,3,6-TETRAHYDRO-2,6-DIOXO-9H-PURIN-8-YL)PHENYL DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS | GLAXO GROUP LIMITED (GB) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998035966-A1 | SUBSTITUTED (1,3-BIS(CYCLOHEXYLMETHYL)-1,2,3,6-TETRAHYDRO-2,6-DIOXO-9H-PURIN-8-YL)PHENYL DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS | GLAXO GROUP LIMITED (GB) | 1998-08-20 | — | — | WO | disclosed |