Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 3/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.36 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.36 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7896956 | 0.84 | SMPD1 (0.50) | SMPD1CASP3CASP6CASP8NR1H2 | |
| SCHEMBL4134852 | 0.83 | HCAR2 (0.47) | SMPD1L3MBTL1HTTADORA2BPKM | |
| SCHEMBL7311748 | 0.83 | SMPD1 (0.46) | SMPD1CASP3CASP6CASP8NR1H2 | |
| SCHEMBL4124767 | 0.82 | SMPD1 (0.44) | SMPD1L3MBTL1KDM4EALDH1A1POLB | |
| SCHEMBL31286775 | 0.81 | SMPD1 (0.55) | SMPD1NR1H2NR1H3ALDH1A1 | |
| SCHEMBL32691257 | 0.81 | L3MBTL1 (0.41) | SMPD1CASP3CASP6CASP8NR1H2 | |
| SCHEMBL25171017 | 0.81 | SMPD1 (0.55) | SMPD1CASP3CASP6CASP8NR1H2 | |
| SCHEMBL5888236 | 0.81 | SMPD1 (0.58) | SMPD1CASP3CASP6CASP8NR1H2 | |
| SCHEMBL4124527 | 0.81 | SMPD1 (0.41) | SMPD1L3MBTL1HTTADORA2BPKM | |
| SCHEMBL630644 | 0.81 | SMPD1 (0.61) | SMPD1CASP3CASP6CASP8NR1H2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7335655-B2 | 8-heteroaryl xanthine adenosine A2B receptor antagonists | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) | 2008-02-26 | — | — | US | disclosed |
| US-7205403-B2 | 8-Heteroaryl xanthine adenosine A2B receptor antagonists | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) | 2007-04-17 | — | — | US | disclosed |
| US-20060142309-A1 | 8-Heteroaryl xanthine adenosine A2B receptor antagonists | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. | 2006-06-29 | — | — | US | disclosed |
| EP-1469856-A4 | 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS | KING PHARMACEUTICALS RES & DEV (US) | 2005-06-22 | — | — | EP | disclosed |
| EP-1469856-A2 | 8-HETEROARYL XANTHINE ADENOSINE A SB 2B /SB RECEPTOR ANTAGONISTS | King Pharmaceuticals Research and Development Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| US-20030207879-A1 | 8-Heteroaryl xanthine adenosine A2B receptor antagonists | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. | 2003-11-06 | — | — | US | disclosed |
| WO-2003063800-A2 | 8-HETEROARYL XANTHINE ADENOSINE A2B RECEPTOR ANTAGONISTS | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) | 2003-08-07 | — | — | WO | 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 (2 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-20030207879-A1 | 8-Heteroaryl xanthine adenosine A2B receptor antagonists | ADORA2B, ADORA2A, ADORA1 | SMPD1 706/4885CASP3 3788/4885CASP6 3811/4885 |
| US-20060142309-A1 | 8-Heteroaryl xanthine adenosine A2B receptor antagonists | ADORA2B, ADORA2A, ADORA1 | SMPD1 1126/4885CASP3 3780/4885CASP6 3853/4885 |
“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.