Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5410513 | 0.80 | NPC1 (0.37) | — | |
| SCHEMBL5402174 | 0.77 | PGK1 (0.36) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15041837 | 0.76 | NOS3 (0.32) | — | |
| SCHEMBL19592699 | 0.75 | KMT2A (0.40) | — | |
| SCHEMBL5408100 | 0.74 | TDO2 (0.37) | CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19145398 | 0.73 | — | — | |
| SCHEMBL17709574 | 0.72 | — | — | |
| SCHEMBL16120495 | 0.72 | — | — | |
| SCHEMBL12586215 | 0.71 | NUDT1 (0.35) | CYP1A2CYP3A4CYP2D6NUDT1 | |
| SCHEMBL16094186 | 0.71 | RXRA (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7166599-B2 | Trisubstituted pyrimidines | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2007-01-23 | — | — | US | disclosed |
| US-20050090486-A1 | Trisubstituted pyrimidines | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2005-04-28 | — | — | US | disclosed |
| EP-1453516-A2 | NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2004-09-08 | — | — | EP | disclosed |
| US-20030134838-A1 | Trisubstituted pyrimidines | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-07-17 | — | — | US | disclosed |
| WO-2003032994-A2 | NOVEL TRI-SUBSTITUTED PYRIMIDINES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2003-04-24 | — | — | 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 (2 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-20030134838-A1 | Trisubstituted pyrimidines | APP, PSEN1, BACE1 | CYP1A2 409/4885CYP3A4 733/4885CYP2D6 241/4885 |
| US-20050090486-A1 | Trisubstituted pyrimidines | APP, BACE1, PSEN1 | CYP1A2 290/4885CYP3A4 545/4885CYP2D6 157/4885 |
“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.