Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | TLR9 | Q9NR96 | 4/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13746661 | 0.84 | HDAC1 (0.56) | HDAC1TLR9TLR8TLR7PIM1 | |
| SCHEMBL3399529 | 0.84 | HDAC1 (0.56) | HDAC1TLR9TLR8TLR7PIM1 | |
| SCHEMBL6859229 | 0.80 | HDAC1 (0.47) | HDAC1TLR9TLR8TLR7 | |
| SCHEMBL2178404 | 0.80 | HDAC1 (0.47) | HDAC1IRAK4 | |
| SCHEMBL1470706 | 0.80 | HDAC1 (0.47) | HDAC1IRAK4 | |
| SCHEMBL6859232 | 0.80 | HDAC1 (0.47) | HDAC1TLR9TLR8TLR7 | |
| SCHEMBL1470530 | 0.80 | HDAC1 (0.47) | HDAC1IRAK4 | |
| SCHEMBL3599737 | 0.80 | HDAC1 (0.47) | HDAC1TLR9TLR8TLR7 | |
| Hydrochloric Acid SCHEMBL1735168 | 0.79 | HDAC1 (0.47) | HDAC1IRAK4 | |
| SCHEMBL11179849 | 0.77 | HDAC1 (0.49) | HDAC1PIM1ROCK2ROCK1SIGMAR1 |
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 13 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-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-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-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-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-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 |
| US-7342006-B2 | Substituted 8-heteroaryl xanthines | ADENOSINE THERAPEUTICS, LLC (US) | 2008-03-11 | — | — | US | disclosed |
| US-20070066631-A1 | Pyrazolyl substituted xanthines | ADENOSINE THERAPEUTICS, LLC | 2007-03-22 | — | — | 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 (4 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 | HDAC1 3806/4885TLR9 1481/4885TLR8 1344/4885 |
| US-20070066631-A1 | Pyrazolyl substituted xanthines | ADORA2B, ADORA2A, ADORA3 | HDAC1 3806/4885TLR9 1481/4885TLR8 1344/4885 |
| US-20080200456-A1 | Substituted 8-Heteroaryl Xanthines | ADORA2B, ADORA2A, ADORA3 | HDAC1 3747/4885TLR9 1139/4885TLR8 495/4885 |
| US-20100273780-A1 | SUBSTITUTED 8-HETEROARYL XANTHINES | ADORA2B, ADORA2A, ADORA3 | HDAC1 3747/4885TLR9 1139/4885TLR8 495/4885 |
“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.