Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5132957 | 0.86 | CDC7 (0.44) | CYP1A2TDP1METAP2ALDH1A1KDM4E | |
| SCHEMBL5130992 | 0.86 | TRPC5 (0.37) | CYP1A2ALDH1A1PIM1ADORA3ADORA2B | |
| SCHEMBL5131718 | 0.86 | ADORA2B (0.45) | CYP1A2ALDH1A1KDM4EADORA3ADORA2B | |
| SCHEMBL5132706 | 0.79 | PIK3CA (0.38) | CYP2A6 | |
| SCHEMBL2987457 | 0.78 | CYP2A6 (0.41) | CYP1A2TDP1ALDH1A1KDM4ECYP2A6 | |
| SCHEMBL5129847 | 0.78 | CYP1A2 (0.39) | CYP1A2METAP2ALDH1A1KDM4EADORA3 | |
| SCHEMBL5133333 | 0.78 | KDM4E (0.42) | CYP1A2TDP1ALDH1A1KDM4EPIM1 | |
| SCHEMBL5130829 | 0.77 | ADORA2B (0.38) | CYP1A2TDP1ALDH1A1KDM4EADORA3 | |
| SCHEMBL5437331 | 0.77 | ADORA2B (0.41) | CYP1A2ALDH1A1KDM4EADORA3ADORA2B | |
| SCHEMBL5132252 | 0.77 | TMIGD3 (0.40) | CYP1A2TDP1ALDH1A1KDM4EADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1989210-A2 | A2A ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007103776-A2 | A2A ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| WO-2007103776-A2 | A2A ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| US-20070208040-A1 | e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction | GILEAD PALO ALTO, INC. | 2007-09-06 | — | — | US | disclosed |
| US-20070208040-A1 | e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction | GILEAD PALO ALTO, INC. | 2007-09-06 | — | — | US | disclosed |
| US-20070208040-A1 | e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction | GILEAD PALO ALTO, INC. | 2007-09-06 | — | — | 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 (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-20070208040-A1 | e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction | CHRNE, CHRNA3, CHRNA1 | CYP2C19 3380/4885CYP1A2 1477/4885TDP1 181/4885 |
“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.