Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | STAT6 | P42226 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18138415 | 0.87 | HSP90AA1 (0.46) | HSP90AA1CDK5CDK5R1ALDH1A1CYP3A4 | |
| SCHEMBL8987408 | 0.83 | SMN1; SMN2 (0.44) | HSP90AA1CDK5CDK5R1ALDH1A1CYP3A4 | |
| SCHEMBL6523937 | 0.80 | ALDH1A1 (0.47) | HSP90AA1CDK5CDK5R1ALDH1A1CYP3A4 | |
| SCHEMBL9155532 | 0.80 | HSP90AA1 (0.40) | HSP90AA1CDK5CDK5R1ALDH1A1CYP3A4 | |
| SCHEMBL149722 | 0.78 | ALDH1A1 (0.62) | HSP90AA1CDK5CDK5R1ALDH1A1CYP3A4 | |
| SCHEMBL7733450 | 0.77 | HSP90AA1 (0.52) | HSP90AA1CDK5CDK5R1ALDH1A1CYP3A4 | |
| SCHEMBL11424411 | 0.72 | ALDH1A1 (0.62) | ALDH1A1CYP3A4MAPK1TP53CYP1A2 | |
| SCHEMBL224588 | 0.71 | S100A4 (0.46) | HSP90AA1CDK5CDK5R1ALDH1A1CYP3A4 | |
| SCHEMBL4365859 | 0.70 | HPRT1 (0.45) | HSP90AA1CDK5CDK5R1ALDH1A1CYP3A4 | |
| SCHEMBL27548148 | 0.70 | ALDH1A1 (0.55) | ALDH1A1CYP3A4MAPK1TP53CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-7149704-A | — | — | None | — | — | JP | disclosed |
| JP-H07149704-A | TRINITROFLUORENONEHYDRAZONE DERIVATIVE | MITA IND CO LTD | 1995-06-13 | — | — | JP | disclosed |