Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | S100A9 | P06702 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | F9 | P00740 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13435977 | 0.85 | S100A9 (0.36) | TRPA1S100A9IKBKB | |
| Trifluoroacetic Acid SCHEMBL3488528 | 0.72 | VNN1 (0.48) | — | |
| SCHEMBL30458054 | 0.71 | FFAR1 (0.43) | S100A9 | |
| Trifluoroacetic Acid SCHEMBL3488728 | 0.66 | HTT (0.47) | — | |
| Trifluoroacetic Acid SCHEMBL3488227 | 0.65 | HDAC3 (0.49) | — | |
| Trifluoroacetic Acid SCHEMBL3489268 | 0.65 | ALDH1A1 (0.47) | — | |
| 2-Thiophenecarbonitrile SCHEMBL30547515 | 0.63 | FFAR1 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL27851317 | 0.59 | KDM1A (0.48) | — | |
| Trifluoroacetic Acid SCHEMBL28832532 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL31078373 | 0.58 | MEN1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100094000-A1 | PYRAZOLE COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-04-15 | — | — | 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 (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-20100094000-A1 | PYRAZOLE COMPOUNDS | NR3C2, MC2R, NR3C1 | TRPA1 979/4885S100A9 3586/4885IKBKB 3043/4885 |
“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.