Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.41 |
| ▸ | DHFR | P00374 | 7/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 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 | |
|---|---|---|---|---|
| SCHEMBL12135488 | 0.89 | ADORA2A (0.54) | ADORA2AADORA1ADORA2BKDM4ERXFP1 | |
| SCHEMBL12135612 | 0.84 | ADORA1 (0.47) | ADORA2AADORA1ADORA2BKDM4ERXFP1 | |
| SCHEMBL13495048 | 0.82 | MEN1 (0.48) | ADORA2AADORA1ADORA2BKDM4EGLA | |
| SCHEMBL12135303 | 0.81 | ADORA2A (0.53) | ADORA2AADORA1ADORA2BKDM4ERXFP1 | |
| SCHEMBL12137691 | 0.81 | MAP4K4 (0.45) | ADORA2AADORA1ADORA2BKDM4ERXFP1 | |
| SCHEMBL12135555 | 0.81 | ADORA2A (0.58) | ADORA2AADORA1ADORA2BKDM4EGLA | |
| SCHEMBL12135492 | 0.80 | DHFR (0.47) | ADORA2AADORA1KDM4EGLADHFR | |
| SCHEMBL12135513 | 0.80 | ADORA1 (0.59) | ADORA2AADORA1ADORA2BKDM4ERXFP1 | |
| SCHEMBL12135505 | 0.80 | DHFR (0.48) | ADORA2AADORA1ADORA2BKDM4ERXFP1 | |
| SCHEMBL12135541 | 0.78 | ADORA1 (0.52) | ADORA2AADORA1ADORA2BKDM4ERXFP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2323992-B1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2016-07-20 | — | — | EP | disclosed |
| US-8916548-B2 | 5-alkynyl-pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-12-23 | — | — | US | disclosed |
| US-8916548-B2 | 5-alkynyl-pyrimidines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-12-23 | — | — | US | disclosed |
| US-20110281838-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-17 | — | — | US | disclosed |
| WO-2010012740-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-02-04 | — | — | 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 (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-20110281838-A1 | 5-ALKYNYL-PYRIMIDINES | MKI67, CCNA1, CCNT1 | ADORA2A 314/4885ADORA1 87/4885ADORA2B 351/4885 |
“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.