Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1079999 | 0.81 | ALDH1A1 (0.47) | ALDH1A1HTTOPRD1KMT2AMEN1 | |
| SCHEMBL3256684 | 0.78 | SIGMAR1 (0.41) | ALDH1A1HTTOPRD1KMT2AMEN1 | |
| SCHEMBL6904745 | 0.71 | CES1 (0.58) | CES1ALDH1A1HTTKMT2AMEN1 | |
| SCHEMBL6497297 | 0.71 | CES1 (0.58) | CES1ALDH1A1HTTKMT2AMEN1 | |
| SCHEMBL4559299 | 0.70 | OPRD1 (0.39) | CES1ALDH1A1HTTOPRD1KMT2A | |
| SCHEMBL717372 | 0.69 | HTT (0.69) | ALDH1A1HTTOPRD1SIGMAR1SMN1; SMN2 | |
| SCHEMBL23037743 | 0.69 | LIPE (0.58) | ALDH1A1KMT2ASIGMAR1MAPTPOLB | |
| SCHEMBL2028141 | 0.68 | CES1 (0.54) | CES1ALDH1A1HTTKMT2AMEN1 | |
| SCHEMBL27915480 | 0.68 | GNAI3 (0.45) | ALDH1A1HTTSIGMAR1MAPTGNAI3 | |
| SCHEMBL5580542 | 0.68 | CES1 (0.69) | CES1ALDH1A1OPRD1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7501407-B2 | Pyrimidine A2B selective antagonist compounds, their synthesis and use | OSI PHARMACEUTICALS, INC. (US) | 2009-03-10 | — | — | US | disclosed |
| US-6916804-B2 | Pyrimidine A2b selective antagonist compounds, their synthesis and use | OSI PHARMACEUTICALS, INC. (US) | 2005-07-12 | — | — | US | disclosed |
| US-20050119271-A1 | Pyrimidine A2B selective antagonist compounds, their synthesis and use | OSI PHARMACEUTICALS, INC. | 2005-06-02 | — | — | 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-20050119271-A1 | Pyrimidine A2B selective antagonist compounds, their synthesis and use | ADORA2B, ADORA2A, ADORA3 | CES1 1823/4885ALDH1A1 2146/4885HTT 1259/4885 |
“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.