Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 10/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.48 |
| ▸ | NPC1 | O15118 | 8/20 | 0.48 |
| ▸ | MAPT | P10636 | 8/20 | 0.48 |
| ▸ | MEN1 | O00255 | 7/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.48 |
| ▸ | GAA | P10253 | 6/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5928815 | 1.00 | ALDH1A1 (0.61) | ALDH1A1HSP90AA1CYP1A2CYP3A4HIF1A | |
| SCHEMBL20101082 | 0.80 | HSP90AA1 (0.85) | ALDH1A1HSP90AA1CYP1A2CYP3A4HIF1A | |
| SCHEMBL17985747 | 0.78 | HSP90AA1 (0.76) | ALDH1A1HSP90AA1CYP1A2CYP3A4HIF1A | |
| SCHEMBL15427107 | 0.76 | HSP90AA1 (1.00) | ALDH1A1HSP90AA1CYP1A2CYP3A4HIF1A | |
| SCHEMBL19449283 | 0.75 | ALDH1A1 (0.65) | ALDH1A1HSP90AA1CYP1A2CYP3A4HIF1A | |
| SCHEMBL17985744 | 0.75 | ALDH1A1 (0.65) | ALDH1A1HSP90AA1CYP1A2CYP3A4HIF1A | |
| SCHEMBL17963015 | 0.75 | HSP90AA1 (0.65) | ALDH1A1HSP90AA1CYP1A2CYP3A4HIF1A | |
| SCHEMBL4909101 | 0.71 | NPC1 (0.70) | ALDH1A1CYP1A2RAB9AKMT2ANPC1 | |
| SCHEMBL17987892 | 0.71 | HSP90AA1 (0.59) | ALDH1A1HSP90AA1CYP1A2CYP3A4HIF1A | |
| SCHEMBL6229312 | 0.70 | NPC1 (0.76) | ALDH1A1RAB9AKMT2ANPC1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1286987-A1 | HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS | Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001094340-A1 | HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS | INNOVATIONSAGENTUR GESELLSCHAFT M.B.H. (AT) | 2001-12-13 | — | — | WO | disclosed |