Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.37 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30983241 | 0.75 | PRMT5 (0.40) | CYP11B2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL19557545 | 0.74 | EGLN2 (0.44) | CYP11B2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL15999122 | 0.74 | HIF1A (0.47) | ALDH1A1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL29912400 | 0.73 | CLK4 (0.41) | CYP11B2ALDH1A1NPSR1GABRA1GABRG2 | |
| SCHEMBL17436061 | 0.73 | ESR2 (0.50) | ALDH1A1NPSR1TDP1GABRA1GABRG2 | |
| SCHEMBL1586204 | 0.73 | CLK4 (0.41) | CYP11B2ALDH1A1NPSR1GABRA1GABRG2 | |
| SCHEMBL24084229 | 0.71 | PDK2 (0.43) | CYP11B2ALDH1A1GABRA1GABRG2GABRB3 | |
| SCHEMBL22730146 | 0.71 | CYP11B2 (0.40) | CYP11B2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL17436140 | 0.71 | SYK (0.45) | TDP1PIN1GRIN1GRIN2B | |
| SCHEMBL23753823 | 0.71 | PIK3CD (0.47) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 | CYP11B2 276/4885ALDH1A1 353/4885NPSR1 2309/4885 |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | PDE4A, PDE4B, TYMP | CYP11B2 173/4885ALDH1A1 443/4885NPSR1 2203/4885 |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | PDE4A, PDE4B, TYMP | CYP11B2 173/4885ALDH1A1 443/4885NPSR1 2203/4885 |
“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.