Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | PPARG | P37231 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | NCOA2 | Q15596 | 3/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 3/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 2/20 | 0.38 |
| ▸ | CASP7 | P55210 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5133022 | 0.87 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDLMNATDP1 | |
| SCHEMBL5129549 | 0.82 | GRIN1 (0.47) | ALDH1A1KDM4ELMNATDP1MEN1 | |
| SCHEMBL5130419 | 0.81 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDTDP1MEN1 | |
| SCHEMBL5132273 | 0.80 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDLMNATDP1 | |
| SCHEMBL5133471 | 0.76 | PDE1A (0.34) | ALDH1A1KDM4EHPGDLMNAMEN1 | |
| SCHEMBL5132710 | 0.76 | TMIGD3 (0.38) | ALDH1A1KDM4EHPGDLMNATDP1 | |
| SCHEMBL7203074 | 0.76 | MEN1 (0.43) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL5133070 | 0.74 | PDE1A (0.35) | ALDH1A1KDM4ELMNATDP1MEN1 | |
| SCHEMBL5132014 | 0.73 | ACACA (0.36) | — | |
| SCHEMBL5130817 | 0.72 | ADORA2B (0.58) | ADORA2BL3MBTL1KDM5B |
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 3 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 |
| 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 | ALDH1A1 419/4885KDM4E 635/4885HPGD 1423/4885 |
“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.