Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | MIF | P14174 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 2/20 | 0.30 |
| ▸ | MC4R | P32245 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | TYMP | P19971 | 1/20 | 0.30 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.30 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL1284564 | 0.94 | ALDH1A1 (0.41) | ALDH1A1CYP3A4HDAC1HDAC8TAAR1 | |
| SCHEMBL2127270 | 0.89 | ALDH1A1 (0.37) | ALDH1A1CYP3A4HSP90B1 | |
| SCHEMBL2125818 | 0.85 | ALDH1A1 (0.37) | ALDH1A1CYP3A4HSP90B1HTR2B | |
| SCHEMBL2124449 | 0.84 | ALDH1A1 (0.36) | ALDH1A1CYP3A4HTR2B | |
| SCHEMBL2127008 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HDAC1HDAC8ESR1 | |
| SCHEMBL2126101 | 0.83 | ALDH1A1 (0.46) | ALDH1A1CYP3A4HDAC1HDAC8 | |
| SCHEMBL2698475 | 0.83 | ALDH1A1 (0.36) | ALDH1A1CYP3A4GAATDP1 | |
| SCHEMBL1283973 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP3A4 | |
| SCHEMBL2429204 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CYP3A4 | |
| SCHEMBL1284598 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120108422-A1 | Antifungal 1,2,4-triazolyl Derivatives | BASF SE (DE) | 2012-05-03 | — | — | US | disclosed |
| EP-2443097-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2012-04-25 | — | — | EP | disclosed |
| WO-2010146111-A1 | ANTIFUNGAL 1, 2, 4-TRIAZOLYL DERIVATIVES | BASF SE (DE) | 2010-12-23 | — | — | WO | 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-20120108422-A1 | Antifungal 1,2,4-triazolyl Derivatives | ERG28, CYP51A1, DPM1 | ALDH1A1 1943/4885CYP3A4 19/4885HDAC1 499/4885 |
“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.