Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL12138052 | 0.86 | ADORA2A (0.52) | ADORA2AADORA1RXFP1KDM4EHSD17B10 | |
| SCHEMBL12137635 | 0.85 | ADORA2A (0.50) | ADORA2AADORA1RXFP1KDM4EHSD17B10 | |
| SCHEMBL12137645 | 0.82 | ADORA2A (0.44) | ADORA2AADORA1RXFP1KDM4EHSD17B10 | |
| SCHEMBL12137839 | 0.81 | MKNK1 (0.59) | ADORA2AADORA1RXFP1KDM4EMAPT | |
| SCHEMBL12137648 | 0.80 | PTGS2 (0.53) | — | |
| SCHEMBL12137634 | 0.79 | AXL (0.56) | ADORA2AADORA1RXFP1KDM4EHSD17B10 | |
| SCHEMBL12137836 | 0.78 | ATR (0.54) | KDM4EHSD17B10HTTMAPTSMN1; SMN2 | |
| SCHEMBL12137682 | 0.78 | KDM4E (0.45) | ADORA2AADORA1RXFP1KDM4EHSD17B10 | |
| SCHEMBL12137832 | 0.78 | KDM4E (0.45) | ADORA2AADORA1RXFP1KDM4EHSD17B10 | |
| SCHEMBL12135248 | 0.77 | ADORA2A (0.43) | ADORA2AADORA1CYP2A6 |
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-20110281838-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-11-17 | — | — | 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-20110281838-A1 | 5-ALKYNYL-PYRIMIDINES | MKI67, CCNA1, CCNT1 | ADORA2A 314/4885ADORA1 87/4885RXFP1 3167/4885 |
“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.