Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 4/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.30 |
| ▸ | P2RY12 | Q9H244 | 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 | |
|---|---|---|---|---|
| SCHEMBL5701832 | 0.92 | ADORA2B (0.53) | ADORA2BADORA3ADORA2AADORA1MTOR | |
| SCHEMBL5431586 | 0.92 | ADORA2B (0.53) | ADORA2BADORA3ADORA2AADORA1MTOR | |
| SCHEMBL5861492 | 0.92 | ADORA2B (0.53) | ADORA2BADORA3ADORA2AADORA1MTOR | |
| SCHEMBL5861429 | 0.92 | ADORA2B (0.53) | ADORA2BADORA3ADORA2AADORA1MTOR | |
| SCHEMBL5431701 | 0.92 | ADORA2B (0.53) | ADORA2BADORA3ADORA2AADORA1MTOR | |
| SCHEMBL5860233 | 0.92 | ADORA2B (0.53) | ADORA2BADORA3ADORA2AADORA1MTOR | |
| SCHEMBL5861525 | 0.92 | ADORA2B (0.53) | ADORA2BADORA3ADORA2AADORA1MTOR | |
| SCHEMBL5860446 | 0.92 | ADORA2B (0.53) | ADORA2BADORA3ADORA2AADORA1MTOR | |
| SCHEMBL6049671 | 0.92 | ADORA2B (0.53) | ADORA2BADORA3ADORA2AADORA1MTOR | |
| SCHEMBL5428341 | 0.92 | ADORA2B (0.53) | ADORA2BADORA3ADORA2AADORA1MTOR |
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 |
|---|---|---|---|---|---|---|---|
| US-7002012-B2 | Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9h-purin-8-YI)phenyl derivatives, their preparation and their use in the treatment of inflammatory conditions and immune disorders | SMITHKLINE BEECHAM CORPORATION (US) | 2006-02-21 | — | — | US | disclosed |
| 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 |
| US-20030181471-A1 | Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9h-purin-8-YI)phenyl derivatives, their preparation and their use in the treatment of inflammatory conditions and immune disorders | DALUGE SUSAN MARY (US) | 2003-09-25 | — | — | US | 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 |
| 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 |
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-20030181471-A1 | Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9h-purin-8-YI)phenyl derivatives, their preparation and their use in the treatment of inflammatory conditions and immune disorders | NOD1, PURB, NOD2 | ADORA2B 617/4885ADORA3 609/4885ADORA2A 996/4885 |
“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.