Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 4/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 3/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | CDK3 | Q00526 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22281317 | 0.76 | TRPA1 (0.42) | TRPA1IDO1METAP2NOS1AXL | |
| SCHEMBL16746127 | 0.76 | TRPA1 (0.42) | TRPA1IDO1METAP2NOS1AXL | |
| SCHEMBL14803988 | 0.75 | NOS1 (0.46) | TRPA1IDO1METAP2NOS1AXL | |
| SCHEMBL20618762 | 0.75 | TRPA1 (0.44) | TRPA1IDO1METAP2NOS1AXL | |
| SCHEMBL62144 | 0.75 | NOS1 (0.46) | TRPA1IDO1METAP2NOS1AXL | |
| SCHEMBL61091 | 0.74 | TRPA1 (0.38) | TRPA1IDO1METAP2NOS1AXL | |
| SCHEMBL21341312 | 0.73 | TRPA1 (0.40) | TRPA1IDO1METAP2NOS1AXL | |
| SCHEMBL24944422 | 0.72 | BRD4 (0.44) | TRPA1IDO1METAP2NOS1AXL | |
| SCHEMBL21217948 | 0.72 | TRPA1 (0.39) | TRPA1IDO1METAP2NOS1AXL | |
| SCHEMBL2611042 | 0.70 | IDO1 (0.55) | TRPA1IDO1METAP2NOS1AXL |
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 2 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 |
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 | TRPA1 323/4885IDO1 392/4885METAP2 1363/4885 |
“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.