Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.40 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22439708 | 0.90 | KMT2A (0.53) | HSP90AA1KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL22406831 | 0.88 | HSP90AA1 (0.52) | HSP90AA1KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL15765299 | 0.80 | HSP90AA1 (0.53) | HSP90AA1KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL22439747 | 0.78 | KMT2A (0.46) | HSP90AA1KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL22407094 | 0.78 | KMT2A (0.50) | HSP90AA1ALDH1A1TSHRMAPTKMT2A | |
| SCHEMBL11044015 | 0.78 | HSP90AA1 (0.64) | HSP90AA1ALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL22439716 | 0.78 | KMT2A (0.38) | HSP90AA1KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL23925318 | 0.76 | KMT2A (0.43) | HSP90AA1KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL22406966 | 0.76 | KMT2A (0.43) | HSP90AA1KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL22450452 | 0.76 | HSP90AA1 (0.43) | HSP90AA1KDM4EALDH1A1TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3712135-A1 | AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE | Kureha Corporation (JP) | 2020-09-23 | — | — | EP | disclosed |