Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 12/20 | 0.67 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.67 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22105782 | 0.91 | ADORA2B (0.54) | ADORA2BADORA2AADORA1HSD17B10ADORA3 | |
| SCHEMBL6473698 | 0.89 | ADORA2B (0.52) | ADORA2BADORA2AADORA1HSD17B10ADORA3 | |
| SCHEMBL1001096 | 0.85 | ADORA2B (0.67) | ADORA2BADORA2AADORA1HSD17B10ADORA3 | |
| SCHEMBL7866286 | 0.82 | ADORA2B (0.79) | ADORA2BADORA2AADORA1HSD17B10ADORA3 | |
| SCHEMBL2686167 | 0.82 | ADORA2B (0.68) | ADORA2BADORA2AADORA1HSD17B10ADORA3 | |
| SCHEMBL7866612 | 0.81 | ADORA2B (0.77) | ADORA2BADORA2AADORA1HSD17B10ADORA3 | |
| SCHEMBL9765885 | 0.81 | ADORA2B (1.00) | ADORA2BADORA2AADORA1HSD17B10ADORA3 | |
| SCHEMBL24787659 | 0.79 | ADORA2B (0.63) | ADORA2BADORA2AADORA1HSD17B10ADORA3 | |
| SCHEMBL24786705 | 0.79 | ADORA2B (0.63) | ADORA2BADORA2AADORA1HSD17B10ADORA3 | |
| SCHEMBL1497273 | 0.78 | ADORA2B (0.66) | ADORA2BADORA2AADORA1HSD17B10ADORA3 |
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-8501941-B2 | Methods for the synthesis of unsymmetrical cycloakyl substituted xanthines | DOGWOOD PHARMACEUTICALS, INC. (US) | 2013-08-06 | — | — | US | disclosed |
| US-8420813-B2 | Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines | DOGWOOD PHARMACEUTICALS, INC. (US) | 2013-04-16 | — | — | US | disclosed |
| US-20120226040-A1 | METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOAKYL SUBSTITUTED XANTHINES | DOGWOOD PHARMACEUTICALS, INC. (US) | 2012-09-06 | — | — | US | disclosed |
| US-20100004445-A1 | METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOALKYL SUBSTITUTED XANTHINES | PGXHEALTH, LLC (US) | 2010-01-07 | — | — | US | disclosed |
| US-7598379-B2 | Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines | PGX HEALTH, LLC (US) | 2009-10-06 | — | — | US | disclosed |
| US-20070105821-A1 | Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines | ALLERGAN SALES, LLC | 2007-05-10 | — | — | US | disclosed |
| WO-2006091936-A2 | METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOALKYL SUBSTITUTED XANTHINES | ADENOSINE THERAPEUTICS, LLC (US) | 2006-08-31 | — | — | 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 (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-20120226040-A1 | METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOAKYL SUBSTITUTED XANTHINES | ADORA2B, ADORA2A, ADORA3 | ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885 |
| US-20070105821-A1 | Methods for the synthesis of unsymmetrical cycloalkyl substituted xanthines | ADORA2B, ADORA2A, ADORA3 | ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885 |
| US-20100004445-A1 | METHODS FOR THE SYNTHESIS OF UNSYMMETRICAL CYCLOALKYL SUBSTITUTED XANTHINES | ADORA2B, ADORA2A, ADORA3 | ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885 |
“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.