Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.48 |
| ▸ | NUDT1 | P36639 | 6/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17979778 | 0.97 | ATM (0.49) | HRH4HRH3NUDT1ATMHTR6 | |
| SCHEMBL17979679 | 0.89 | NUDT1 (0.49) | HRH4HRH3NUDT1ATMOPRK1 | |
| SCHEMBL17979680 | 0.89 | NUDT1 (0.49) | HRH4HRH3NUDT1ATMOPRK1 | |
| SCHEMBL17979701 | 0.89 | NUDT1 (0.49) | HRH4HRH3NUDT1ATMOPRK1 | |
| SCHEMBL17979677 | 0.88 | HRH4 (0.47) | HRH4HRH3NUDT1ATMHTR6 | |
| SCHEMBL17979733 | 0.86 | ATM (0.49) | NUDT1ATMHTR6ADORA2AADORA1 | |
| SCHEMBL17979731 | 0.86 | ATM (0.49) | NUDT1ATMHTR6ADORA2AADORA1 | |
| SCHEMBL18019679 | 0.86 | ATM (0.49) | NUDT1ATMHTR6ADORA2AADORA1 | |
| SCHEMBL18019882 | 0.83 | NUDT1 (0.47) | HRH4NUDT1ATM | |
| SCHEMBL17979742 | 0.83 | ATM (0.52) | NUDT1ATMHTR6 |
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-20180118721-A1 | PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-05-03 | — | — | US | claimed |
| US-20180118721-A1 | PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-05-03 | — | — | US | disclosed |
| US-20180118721-A1 | PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-05-03 | — | — | US | disclosed |
| US-20180118721-A1 | PYRIMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-05-03 | — | — | US | disclosed |
| EP-3256132-A1 | PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | Merck Patent GmbH (DE) | 2017-12-20 | — | — | EP | disclosed |
| WO-2016128140-A1 | PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | MERCK PATENT GMBH (DE) | 2016-08-18 | — | — | WO | disclosed |
| WO-2016128140-A1 | PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | MERCK PATENT GMBH (DE) | 2016-08-18 | — | — | 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-20180118721-A1 | PYRIMIDINE DERIVATIVES | MTHFD1, TYMS, DPYD | HRH4 2404/4885HRH3 2590/4885NUDT1 10/4885 |
“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.