Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.60 |
| ▸ | RXRA | P19793 | 9/20 | 0.44 |
| ▸ | RXRB | P28702 | 6/20 | 0.44 |
| ▸ | RARB | P10826 | 13/20 | 0.43 |
| ▸ | RARG | P13631 | 13/20 | 0.43 |
| ▸ | RARA | P10276 | 11/20 | 0.43 |
| ▸ | CYP26A1 | O43174 | 3/20 | 0.43 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17447336 | 0.84 | NOTUM (0.56) | NOTUMRARBRARGCYP26A1CYP3A4 | |
| SCHEMBL17436030 | 0.84 | NOTUM (0.61) | NOTUMRXRARXRBRARBRARG | |
| SCHEMBL9687259 | 0.81 | NOTUM (0.64) | NOTUMCYP3A4ALDH1A1LMNA | |
| SCHEMBL430124 | 0.81 | NOTUM (0.64) | NOTUMKDM4EALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL17447341 | 0.81 | NOTUM (0.63) | NOTUMRXRARXRBRARBRARG | |
| SCHEMBL1042950 | 0.80 | NOTUM (0.62) | NOTUM | |
| SCHEMBL31481087 | 0.80 | NOTUM (0.62) | NOTUM | |
| SCHEMBL31481108 | 0.80 | NOTUM (0.62) | NOTUM | |
| SCHEMBL17446878 | 0.80 | NOTUM (0.62) | NOTUM | |
| SCHEMBL395606 | 0.80 | NOTUM (0.62) | NOTUM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 | NOTUM 1482/4885RXRA 2135/4885RXRB 2174/4885 |
| US-20160016937-A1 | Novel substituted pyrimidine compounds | PDE4A, PDE4B, TYMP | NOTUM 1560/4885RXRA 1724/4885RXRB 1732/4885 |
| US-20170066776-A1 | Novel substituted pyrimidine compounds | PDE4A, PDE4B, TYMP | NOTUM 1560/4885RXRA 1724/4885RXRB 1732/4885 |
“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.