Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.76 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | KDM6B | O15054 | 1/20 | 0.56 |
| ▸ | TET3 | O43151 | 1/20 | 0.56 |
| ▸ | KDM4A | O75164 | 1/20 | 0.56 |
| ▸ | KDM4B | O94953 | 1/20 | 0.56 |
| ▸ | KDM5A | P29375 | 1/20 | 0.56 |
| ▸ | KDM5C | P41229 | 1/20 | 0.56 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.56 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.56 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.56 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.56 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15427107 | 0.86 | HSP90AA1 (1.00) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL20101038 | 0.84 | HSP90AA1 (0.71) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL20101082 | 0.79 | HSP90AA1 (0.85) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL28720593 | 0.77 | MAOA (0.61) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL28720595 | 0.77 | MAOA (0.61) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL28362719 | 0.77 | MAOA (0.58) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL28362720 | 0.77 | MAOA (0.58) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL28720778 | 0.74 | MAOA (0.54) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL28720784 | 0.74 | MAOA (0.54) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL28366328 | 0.72 | MAOA (0.72) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A |
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-2018081612-A1 | COMPOUNDS AND METHODS FOR TREATING CANCER | ACTAVALON, INC. (US) | 2018-05-03 | — | — | WO | disclosed |