Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.71 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.45 |
| ▸ | NCS1 | P62166 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | KDM6B | O15054 | 1/20 | 0.43 |
| ▸ | TET3 | O43151 | 1/20 | 0.43 |
| ▸ | KDM4A | O75164 | 1/20 | 0.43 |
| ▸ | KDM4B | O94953 | 1/20 | 0.43 |
| ▸ | KDM5A | P29375 | 1/20 | 0.43 |
| ▸ | KDM5C | P41229 | 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 | |
|---|---|---|---|---|
| SCHEMBL20101035 | 0.85 | HSP90AA1 (0.54) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL20101036 | 0.84 | HSP90AA1 (0.76) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL15427107 | 0.84 | HSP90AA1 (1.00) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL20101027 | 0.83 | DYRK1A (0.48) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL20101082 | 0.76 | HSP90AA1 (0.85) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL20101023 | 0.76 | MEN1 (0.55) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL17963013 | 0.71 | HSP90AA1 (0.57) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL31151098 | 0.70 | ALDH1A1 (0.56) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL31151100 | 0.70 | ALDH1A1 (0.56) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL28366328 | 0.70 | 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 |