Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | 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 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | GNRHR | P30968 | 1/20 | 0.35 |
| ▸ | PARG | Q86W56 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7784449 | 1.00 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7029839 | 0.98 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7030994 | 0.95 | ALDH1A1 (0.49) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7026734 | 0.91 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7783277 | 0.88 | PDE5A (0.45) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7776460 | 0.88 | PDE5A (0.45) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7776484 | 0.86 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL7783070 | 0.84 | MEN1 (0.45) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL1546588 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL4811599 | 0.81 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2ACYP3A4SMN1; SMN2 |
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 30 patents — showing the first 20. 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-6770267-B2 | Methods of treating periodontal disease | SMITHKLINE BEECHAM CORPORATION | 2004-08-03 | — | — | US | disclosed |
| US-20040034020-A1 | Methods of treating periodontal disease | DALUGE SUSAN MARY (US) | 2004-02-19 | — | — | US | disclosed |
| EP-1104422-B1 | PHENYL XANTHINE DERIVATIVES | GLAXO GROUP LTD (GB) | 2004-02-18 | — | — | 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-6608069-B1 | Treating AIDS-related diarrhea or infectious diarrhea, tissue damage or dermatitis associated with leukocyte infiltration into tissue, asthma, inflammatory bowel condition, eczema, or psoriasis | SMITHKLINE BEECHAM CORPORATION | 2003-08-19 | — | — | US | disclosed |
| US-6531600-B1 | 8-substituted xanthines have a protective effect against the consequences of cerebral metabolic inhibition; cerebral vascular and neuronal degenerative disorders; 6-aminouracil intermediate is claimed | BEECHAM GROUP P.L.C. (GB) | 2003-03-11 | — | — | US | disclosed |
| US-20030032804-A1 | Methods of treating periodontal disease | SMITHKLINE BEECHAM CORPORATION | 2003-02-13 | — | — | 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-5776940-A | COMPOUNDS FOR TREATMENT OF SEPTIC SHOCK, ANTIINFLAMMATORY AND ANTIALLERGENS | GLAXO WELLCOME INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5734051-A | TREATMENT OF CEREBROVASCULAR DISORDERS AND-OR DISORDERS ASSOCIATED WITH CEREBRAL SENILITY | BEECHAM GROUP (GB) | 1998-03-31 | — | — | US | disclosed |
| EP-0775141-A1 | PHENYL XANTHINE DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-05-28 | — | — | EP | disclosed |
| CN-1031641-C | Process for preparing 8-substituted xanthine | BEECHAM WUELFING GMBH & CO KG (DE) | 1996-04-24 | — | — | CN | disclosed |
| WO-1996004280-A1 | PHENYL XANTHINE DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-02-15 | — | — | WO | disclosed |
| EP-0369744-B1 | Xanthine derivatives, process for their preparation and pharmaceutical compositions | SMITHKLINE BEECHAM PHARMA GMBH (DE) | 1994-09-21 | — | — | EP | disclosed |
| US-5321029-A | Vascular and skin disorders; bronchodilator | BEECHAM-WUELFING GMBH & CO.K.G. (DE) | 1994-06-14 | — | — | US | disclosed |
| CN-1047502-A | The preparation method of 8-substituted xanthine | BEECHAM WUELFING GMBH & CO KG (DE) | 1990-12-05 | — | — | CN | disclosed |
| EP-0389282-A2 | Xanthinederivatives, process for their preparation and their pharmaceutical use | BEECHAM - WUELFING GmbH & Co. KG (DE) | 1990-09-26 | — | — | EP | disclosed |
| EP-0369744-A2 | Xanthine derivatives, process for their preparation and pharmaceutical compositions | SMITHKLINE BEECHAM PHARMA GmbH (DE) | 1990-05-23 | — | — | EP | 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 (3 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 | ALDH1A1 2547/4885MEN1 4092/4885KMT2A 2080/4885 |
| US-20040034020-A1 | Methods of treating periodontal disease | MMP8, LPO, PTGES3 | ALDH1A1 2314/4885MEN1 4696/4885KMT2A 3106/4885 |
| US-20030032804-A1 | Methods of treating periodontal disease | HPGDS, SELP, ALPI | ALDH1A1 2569/4885MEN1 4795/4885KMT2A 4676/4885 |
“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.