Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | P4HB | P07237 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL61681 | 1.00 | HTT (0.42) | HTTALDH1A1XBP1MEN1KMT2A | |
| SCHEMBL61602 | 0.87 | ALDH1A1 (0.46) | HTTALDH1A1XBP1MEN1KMT2A | |
| SCHEMBL61601 | 0.87 | ALDH1A1 (0.46) | HTTALDH1A1XBP1MEN1KMT2A | |
| SCHEMBL62244 | 0.82 | C5AR1 (0.42) | HTTALDH1A1XBP1MEN1KMT2A | |
| SCHEMBL72756 | 0.82 | C5AR1 (0.42) | HTTALDH1A1XBP1MEN1KMT2A | |
| SCHEMBL61144 | 0.82 | C5AR1 (0.42) | HTTALDH1A1XBP1MEN1KMT2A | |
| SCHEMBL62258 | 0.79 | GAA (0.36) | HTTALDH1A1XBP1MEN1KMT2A | |
| SCHEMBL4198970 | 0.76 | KDM4E (0.44) | ALDH1A1MEN1KMT2APFKFB3 | |
| SCHEMBL1327793 | 0.76 | ALDH1A1 (0.40) | HTTALDH1A1XBP1MEN1KMT2A | |
| SCHEMBL1327790 | 0.76 | ALDH1A1 (0.40) | HTTALDH1A1XBP1MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129395-B2 | 4,5-disubstituted-2-aryl pyrimidines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2012-03-06 | — | — | US | disclosed |
| US-20100022516-A1 | 4,5-Disubstituted-2-aryl pyrimidines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2010-01-28 | — | — | US | disclosed |
| US-7482350-B2 | 4,5-disubstituted-2-aryl pyrimidines | NEUROGEN CORPORATION (US) | 2009-01-27 | — | — | US | disclosed |
| US-20050277654-A1 | 4,5-Disubstituted-2-aryl pyrimidines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2005-12-15 | — | — | US | 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-20050277654-A1 | 4,5-Disubstituted-2-aryl pyrimidines | C5AR2, C3AR1, C5AR1 | HTT 4546/4885ALDH1A1 1616/4885XBP1 2768/4885 |
| US-20100022516-A1 | 4,5-Disubstituted-2-aryl pyrimidines | C5AR2, C5AR1, C3AR1 | HTT 4501/4885ALDH1A1 1684/4885XBP1 2718/4885 |
“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.