Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.50 |
| ▸ | MEN1 | O00255 | 7/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.48 |
| ▸ | HTT | P42858 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.47 |
| ▸ | CCR6 | P51684 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | ALPG | P10696 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16316772 | 1.00 | GAA (0.52) | GAAKMT2AMEN1HSP90AA1MAPT | |
| SCHEMBL20982004 | 0.83 | GAA (0.76) | GAAKMT2AMEN1HSP90AA1MAPT | |
| SCHEMBL18591317 | 0.83 | GAA (0.76) | GAAKMT2AMEN1HSP90AA1MAPT | |
| SCHEMBL19419891 | 0.78 | KMT2A (0.51) | GAAKMT2AMEN1HSP90AA1MAPT | |
| SCHEMBL12958625 | 0.78 | MEN1 (0.64) | GAAKMT2AMEN1MAPTKDM4E | |
| SCHEMBL12958722 | 0.76 | MEN1 (0.53) | GAAKMT2AMEN1HSP90AA1MAPT | |
| SCHEMBL15001003 | 0.73 | RAB9A (0.47) | GAAMAPTKDM4ELMNASMN1; SMN2 | |
| SCHEMBL1695281 | 0.73 | RAB9A (0.47) | GAAMAPTKDM4ELMNASMN1; SMN2 | |
| SCHEMBL28624353 | 0.70 | GFER (0.51) | GAAKMT2AMEN1MAPTKDM4E | |
| SCHEMBL24823781 | 0.70 | KMT2A (0.60) | GAAKMT2AMEN1MAPTKDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153628-B2 | Pyrazolyl substituted xanthines | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2012-04-10 | — | — | US | disclosed |
| US-20100273780-A1 | SUBSTITUTED 8-HETEROARYL XANTHINES | PGXHEALTH, LLC (US) | 2010-10-28 | — | — | US | disclosed |
| US-7732455-B2 | Substituted 8-heteroaryl xanthines | PGX HEALTH, LLC (US) | 2010-06-08 | — | — | US | disclosed |
| US-20100120765-A1 | PYRAZOLYL SUBSTITUTED XANTHINES | PGXHEALTH, LLC (US) | 2010-05-13 | — | — | US | disclosed |
| US-20080200456-A1 | Substituted 8-Heteroaryl Xanthines | ALLERGAN SALES, LLC | 2008-08-21 | — | — | US | disclosed |
| US-7342006-B2 | Substituted 8-heteroaryl xanthines | ADENOSINE THERAPEUTICS, LLC (US) | 2008-03-11 | — | — | US | 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-20100120765-A1 | PYRAZOLYL SUBSTITUTED XANTHINES | ADORA2B, ADORA2A, ADORA3 | GAA 2028/4885KMT2A 3345/4885MEN1 4200/4885 |
| US-20080200456-A1 | Substituted 8-Heteroaryl Xanthines | ADORA2B, ADORA2A, ADORA3 | GAA 2187/4885KMT2A 1888/4885MEN1 4332/4885 |
| US-20100273780-A1 | SUBSTITUTED 8-HETEROARYL XANTHINES | ADORA2B, ADORA2A, ADORA3 | GAA 2187/4885KMT2A 1888/4885MEN1 4332/4885 |
“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.