Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.31 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.31 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9054399 | 0.88 | HSP90AA1 (0.43) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL8676792 | 0.78 | HSP90AA1 (0.42) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9530413 | 0.77 | HSP90AA1 (0.46) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9050800 | 0.77 | CES2 (0.33) | ALDH1A1 | |
| SCHEMBL8937971 | 0.75 | HSP90AA1 (0.44) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9735470 | 0.75 | KMT2A (0.52) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9058114 | 0.72 | HSP90AA1 (0.41) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL8674662 | 0.72 | HSP90AA1 (0.41) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9054887 | 0.72 | HSP90AA1 (0.41) | HSP90AA1KMT2ACYP3A4ALDH1A1CYP19A1 | |
| SCHEMBL9529992 | 0.72 | CYP3A4 (0.58) | HSP90AA1KMT2ACYP3A4CYP19A1LMNA |
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 2 patents. 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 |
| WO-1996036634-A1 | OXIRANYL-HYDROXYETHYL TRIAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-21 | — | — | WO | disclosed |