Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 5/20 | 0.62 |
| ▸ | HRH4 | Q9H3N8 | 5/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL4263812 | 0.78 | CDK2 (0.38) | NUDT1AURKBMCHR1ADRA2AADRA1A | |
| SCHEMBL4262384 | 0.78 | CDK2 (0.38) | NUDT1AURKBMCHR1ADRA2AADRA1A | |
| SCHEMBL16711167 | 0.77 | NUDT1 (0.54) | NUDT1HRH4HRH3ABL1RIN1 | |
| SCHEMBL18019866 | 0.77 | NUDT1 (0.58) | NUDT1HRH4HRH3 | |
| SCHEMBL30488030 | 0.77 | NUDT1 (0.57) | NUDT1HRH4HRH3ABL1RIN1 | |
| SCHEMBL29044805 | 0.77 | NUDT1 (0.57) | NUDT1HRH4HRH3ABL1RIN1 | |
| SCHEMBL20109484 | 0.77 | NUDT1 (1.00) | NUDT1AURKAPDPK1TGFBR1ROCK1 | |
| SCHEMBL4257453 | 0.76 | PDGFRB (0.47) | NUDT1AURKBMCHR1ADRA2AADRA1A | |
| SCHEMBL4257454 | 0.76 | PDGFRB (0.47) | NUDT1AURKBMCHR1ADRA2AADRA1A | |
| SCHEMBL4260572 | 0.75 | CRHR1 (0.40) | NUDT1AURKBMCHR1ADRA2AADRA1A |
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-20180118721-A1 | PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-05-03 | — | — | 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-20180118721-A1 | PYRIMIDINE DERIVATIVES | MTHFD1, TYMS, DPYD | NUDT1 10/4885HRH4 2404/4885HRH3 2590/4885 |
“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.