Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | C5AR1 | P21730 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | P4HB | P07237 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL61192 | 0.86 | ALDH1A1 (0.39) | ALDH1A1XBP1HTTC5AR1MEN1 | |
| SCHEMBL74248 | 0.82 | MEN1 (0.37) | ALDH1A1XBP1HTTC5AR1MEN1 | |
| SCHEMBL64660 | 0.82 | ALDH1A1 (0.42) | ALDH1A1XBP1HTTC5AR1MEN1 | |
| SCHEMBL61468 | 0.79 | MEN1 (0.38) | ALDH1A1XBP1HTTC5AR1MEN1 | |
| SCHEMBL62223 | 0.79 | ALDH1A1 (0.40) | ALDH1A1XBP1HTTC5AR1MEN1 | |
| SCHEMBL62704 | 0.78 | MEN1 (0.40) | ALDH1A1XBP1HTTC5AR1MEN1 | |
| SCHEMBL61966 | 0.78 | ALDH1A1 (0.41) | ALDH1A1XBP1HTTC5AR1MEN1 | |
| SCHEMBL61967 | 0.78 | ALDH1A1 (0.41) | ALDH1A1XBP1HTTC5AR1MEN1 | |
| SCHEMBL61148 | 0.78 | ALDH1A1 (0.41) | ALDH1A1XBP1HTTC5AR1MEN1 | |
| SCHEMBL61147 | 0.78 | ALDH1A1 (0.41) | ALDH1A1XBP1HTTC5AR1MEN1 |
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-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-20100022516-A1 | 4,5-Disubstituted-2-aryl pyrimidines | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2010-01-28 | — | — | 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 (1 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-20100022516-A1 | 4,5-Disubstituted-2-aryl pyrimidines | C5AR2, C5AR1, C3AR1 | ALDH1A1 1684/4885XBP1 2718/4885HTT 4501/4885 |
“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.