Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 4/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.33 |
| ▸ | DBH | P09172 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | TPO | P07202 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2127270 | 0.94 | ALDH1A1 (0.37) | ALDH1A1CYP3A4KCNH2TMEM97SIGMAR1 | |
| SCHEMBL2125818 | 0.93 | ALDH1A1 (0.37) | ALDH1A1CYP3A4KCNH2TMEM97SIGMAR1 | |
| SCHEMBL2124449 | 0.92 | ALDH1A1 (0.36) | ALDH1A1CYP3A4DBHCYP19A1 | |
| SCHEMBL1284598 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CYP3A4 | |
| SCHEMBL2429204 | 0.89 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TMEM97DBH | |
| SCHEMBL1284564 | 0.88 | ALDH1A1 (0.41) | ALDH1A1CYP3A4 | |
| SCHEMBL1284057 | 0.84 | PLK4 (0.34) | ALDH1A1CYP3A4CYP19A1 | |
| SCHEMBL1284629 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TMEM97SIGMAR1DBH | |
| SCHEMBL2127630 | 0.83 | ALDH1A1 (0.36) | ALDH1A1CYP3A4 | |
| SCHEMBL2127008 | 0.82 | ALDH1A1 (0.47) | ALDH1A1CYP3A4KCNH2DBH |
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-20120088664-A1 | Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent | BASF SE (DE) | 2012-04-12 | — | — | 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-20120088664-A1 | Antifungal 1,2,4-triazolyl derivatives having a 5-sulfur subtituent | STS, TST, ERG28 | ALDH1A1 1568/4885CYP3A4 49/4885KCNH2 3266/4885 |
“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.