Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | DBH | P09172 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.33 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.33 |
| ▸ | MCTS1 | Q9ULC4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2125479 | 0.97 | ACLY (0.37) | ACLYALDH1A1CYP3A4DBHGAA | |
| SCHEMBL1283614 | 0.94 | ALDH1A1 (0.40) | ACLYALDH1A1CYP3A4DBHGAA | |
| SCHEMBL2126352 | 0.87 | ALDH1A1 (0.33) | ALDH1A1CYP3A4SLC16A3SLC16A1MCTS1 | |
| SCHEMBL2127008 | 0.86 | ALDH1A1 (0.47) | ALDH1A1CYP3A4DBH | |
| SCHEMBL2126101 | 0.85 | ALDH1A1 (0.46) | ALDH1A1CYP3A4DBH | |
| SCHEMBL2127221 | 0.84 | HSP90AA1 (0.36) | ALDH1A1CYP3A4GAASLC16A3SLC16A1 | |
| SCHEMBL1286610 | 0.84 | GAA (0.44) | ALDH1A1GAANPC1 | |
| SCHEMBL1281680 | 0.83 | GAA (0.44) | ALDH1A1GAANPC1 | |
| SCHEMBL1282491 | 0.82 | GAA (0.45) | ALDH1A1GAANPC1 | |
| SCHEMBL2124797 | 0.82 | KMT2A (0.37) | ACLYALDH1A1CYP3A4DBHGAA |
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 | ACLY 2911/4885ALDH1A1 1943/4885CYP3A4 19/4885 |
“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.