Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 6/20 | 0.37 |
| ▸ | RAB9A | P51151 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.37 |
| ▸ | HPGD | P15428 | 5/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5131718 | 0.85 | ADORA2B (0.45) | ADORA2BADORA3HPGDPOLBCYP1A2 | |
| SCHEMBL5132731 | 0.84 | ADORA2B (0.32) | ADORA2BCYP1A2ALDH1A1LMNA | |
| SCHEMBL5132179 | 0.82 | ALDH1A1 (0.31) | ALDH1A1LMNA | |
| SCHEMBL5130995 | 0.79 | PDE4A (0.36) | ADORA2BADORA3CYP1A2ALDH1A1LMNA | |
| SCHEMBL5130964 | 0.78 | NPC1 (0.43) | ADORA2BADORA3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5129176 | 0.77 | CYP2C19 (0.42) | ADORA2BADORA3CYP1A2ALDH1A1LMNA | |
| SCHEMBL5132957 | 0.76 | CDC7 (0.44) | ADORA2BADORA3HPGDCYP1A2ALDH1A1 | |
| SCHEMBL5129847 | 0.76 | CYP1A2 (0.39) | ADORA2BADORA3NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5129886 | 0.76 | PDE4A (0.35) | — | |
| SCHEMBL5130696 | 0.75 | KDM4E (0.40) | ADORA2BSMN1; SMN2HPGDPOLBCYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | ADORA2B 51/4885ADORA3 11/4885NPC1 676/4885 |
“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.