Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10745738 | 1.00 | CYP3A4 (0.37) | CYP3A4ALDH1A1HSP90AA1LMNACYP19A1 | |
| SCHEMBL1284634 | 0.82 | CYP3A4 (0.43) | CYP3A4ALDH1A1HSP90AA1LMNACYP19A1 | |
| SCHEMBL1284632 | 0.82 | CYP3A4 (0.43) | CYP3A4ALDH1A1HSP90AA1LMNACYP19A1 | |
| SCHEMBL9788463 | 0.81 | KMT2A (0.49) | CYP3A4ALDH1A1HSP90AA1LMNACYP19A1 | |
| SCHEMBL9788438 | 0.81 | KMT2A (0.49) | CYP3A4ALDH1A1HSP90AA1LMNACYP19A1 | |
| SCHEMBL9443025 | 0.81 | ALDH1A1 (0.56) | CYP3A4ALDH1A1HSP90AA1LMNACYP19A1 | |
| SCHEMBL9443020 | 0.81 | ALDH1A1 (0.56) | CYP3A4ALDH1A1HSP90AA1LMNACYP19A1 | |
| SCHEMBL9443155 | 0.81 | ALDH1A1 (0.56) | CYP3A4ALDH1A1HSP90AA1LMNACYP19A1 | |
| SCHEMBL10829617 | 0.79 | CYP3A4 (0.45) | CYP3A4ALDH1A1HSP90AA1LMNACYP19A1 | |
| SCHEMBL10829620 | 0.79 | CYP3A4 (0.45) | CYP3A4ALDH1A1HSP90AA1LMNACYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4672134-A | Novel oxirane intermediates for fungicidally active substituted 1-hydroxyethyl-triazolyl derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1987-06-09 | — | — | US | disclosed |
| EP-0110048-B1 | SUBSTITUATED 1-HYDROXY-ETHYL-TRIAZOLYL DERIVATIVES | BAYER AG (DE) | 1986-12-03 | — | — | EP | disclosed |
| US-4548945-A | Fungicidally active substituted 1-hydroxyethyl-triazolyl derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1985-10-22 | — | — | US | disclosed |
| EP-0110048-A2 | Substituated 1-hydroxy-ethyl-triazolyl derivatives | BAYER AG (DE) | 1984-06-13 | — | — | EP | disclosed |