Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK1 | P49759 | 1/20 | 0.47 |
| ▸ | AMY1A | P0DUB6 | 3/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.43 |
| ▸ | FEN1 | P39748 | 2/20 | 0.43 |
| ▸ | CTSA | P10619 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | USP7 | Q93009 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.40 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.40 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.40 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17436180 | 0.87 | KDM1A (0.45) | AMY1ACYP17A1CYP11B1CYP11B2NPC1 | |
| SCHEMBL17436348 | 0.79 | FEN1 (0.46) | CLK1ALOX5APFEN1 | |
| SCHEMBL29904245 | 0.77 | AMY1A (0.46) | CLK1AMY1ACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL27415952 | 0.77 | AMY1A (0.46) | CLK1AMY1ACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL27781767 | 0.77 | CYP2C19 (0.58) | AMY1AERN1USP7PRKAB2PRKAG1 | |
| SCHEMBL8612536 | 0.77 | MAPT (0.46) | FEN1NPSR1 | |
| SCHEMBL10340365 | 0.76 | AMY1A (0.50) | AMY1AERN1RAB9ANPSR1PRKAB2 | |
| SCHEMBL12987241 | 0.75 | AMY1A (0.50) | AMY1ACYP17A1CYP11B1CYP11B2CTSA | |
| SCHEMBL31511341 | 0.75 | PIN1 (0.52) | RAB9A | |
| SCHEMBL12396451 | 0.74 | ERN1 (0.52) | CLK1AMY1ACYP17A1CYP11B1CYP11B2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107074812-B | Substituted pyrimidine compounds | 格吕伦塔尔有限公司 | 2020-08-21 | — | — | CN | disclosed |
| EP-3527561-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2019-08-21 | — | — | EP | disclosed |
| US-10189854-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2019-01-29 | — | — | US | disclosed |
| EP-3169681-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2017-05-24 | — | — | EP | disclosed |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-03-09 | — | — | US | disclosed |
| US-9540349-B2 | Substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2017-01-10 | — | — | US | disclosed |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | GRUENENTHAL GMBH (DE) | 2016-01-21 | — | — | US | disclosed |
| WO-2016008593-A1 | NOVEL SUBSTITUTED PYRIMIDINE COMPOUNDS | Grünenthal GmbH (DE) | 2016-01-21 | — | — | 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 (3 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-10189854-B2 | Substituted pyrimidine compounds | TYMP, PDE4A, DPYD | CLK1 4504/4885AMY1A 2342/4885CYP17A1 985/4885 |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | PDE4A, PDE4B, TYMP | CLK1 4481/4885AMY1A 2334/4885CYP17A1 798/4885 |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | PDE4A, PDE4B, TYMP | CLK1 4481/4885AMY1A 2334/4885CYP17A1 798/4885 |
“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.