Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.42 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 9/20 | 0.34 |
| ▸ | ADCY6 | O43306 | 1/20 | 0.33 |
| ▸ | ADCY3 | O60266 | 1/20 | 0.33 |
| ▸ | ADCY9 | O60503 | 1/20 | 0.33 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.33 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.33 |
| ▸ | ADCY7 | P51828 | 1/20 | 0.33 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.33 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.33 |
| ▸ | ADCY4 | Q8NFM4 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL719782 | 0.88 | MAPKAPK2 (0.46) | SMYD3MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| SCHEMBL718874 | 0.79 | ESR1 (0.43) | SMYD3MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| Trifluoroacetic Acid SCHEMBL722169 | 0.76 | AR (0.38) | KDM1AADCY6ADCY3ADCY9ADCY5 | |
| Trifluoroacetic Acid SCHEMBL722173 | 0.75 | ALDH1A1 (0.40) | ALDH1A1KDM1AADCY6ADCY3ADCY9 | |
| Trifluoroacetic Acid SCHEMBL718879 | 0.73 | PDGFRB (0.36) | KDM1AHTR2B | |
| Trifluoroacetic Acid SCHEMBL719514 | 0.72 | PKM (0.38) | ALDH1A1KDM1AHTR2B | |
| Trifluoroacetic Acid SCHEMBL8362809 | 0.71 | KDM4E (0.45) | SMYD3MAPKAPK2RPS6KA3CSNK2A1PLK3 | |
| Trifluoroacetic Acid SCHEMBL719107 | 0.69 | L3MBTL1 (0.46) | — | |
| Trifluoroacetic Acid SCHEMBL719124 | 0.68 | PTPN1 (0.40) | ALDH1A1KDM1A | |
| Trifluoroacetic Acid SCHEMBL719783 | 0.68 | KDM1A (0.39) | KDM1AADCY6ADCY3ADCY9ADCY5 |
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-20120053168-A1 | FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | TARGACEPT, INC. (US) | 2012-03-01 | — | — | 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-20120053168-A1 | FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | CHRNA2, CHRNA5, CHRNA10 | SMYD3 2885/4885MAPKAPK2 1729/4885RPS6KA3 3126/4885 |
“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.