Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | FDPS | P14324 | 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 | |
|---|---|---|---|---|
| SCHEMBL10413612 | 0.80 | KMT2A (0.48) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL10413311 | 0.77 | CYP3A4 (0.54) | HSP90AA1KMT2ACYP3A4CYP19A1CYP2C9 | |
| SCHEMBL8937971 | 0.74 | HSP90AA1 (0.44) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL10641081 | 0.73 | CYP3A4 (0.54) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9051499 | 0.72 | HSP90AA1 (0.42) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9058114 | 0.72 | HSP90AA1 (0.41) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL11544361 | 0.70 | CYP3A4 (0.50) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL10460946 | 0.69 | KMT2A (0.60) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL8937935 | 0.67 | CYP3A4 (0.52) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9719625 | 0.67 | HSP90AA1 (0.55) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996036635-A1 | OXIRANYL-TRIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-21 | — | — | WO | disclosed |