Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.85 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.85 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.85 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.85 |
| ▸ | MAPT | P10636 | 11/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 9/20 | 0.51 |
| ▸ | GAA | P10253 | 8/20 | 0.51 |
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | MEN1 | O00255 | 7/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.48 |
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 | 0.92 | HSP90AA1 (1.00) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL17985747 | 0.86 | HSP90AA1 (0.76) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL17963015 | 0.83 | HSP90AA1 (0.65) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL19449283 | 0.83 | ALDH1A1 (0.65) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL17985744 | 0.83 | ALDH1A1 (0.65) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL5928815 | 0.80 | ALDH1A1 (0.61) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL6982873 | 0.80 | ALDH1A1 (0.61) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL17987892 | 0.79 | HSP90AA1 (0.59) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL20101036 | 0.79 | HSP90AA1 (0.76) | HSP90AA1ALDH1A1CYP1A2CYP3A4HIF1A | |
| SCHEMBL6229312 | 0.77 | NPC1 (0.76) | ALDH1A1MAPTKMT2ATDP1NPSR1 |
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 |