Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.54 |
| ▸ | MAOA | P21397 | 2/20 | 0.53 |
| ▸ | MAOB | P27338 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.47 |
| ▸ | NCS1 | P62166 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL20101027 | 0.87 | DYRK1A (0.48) | HSP90AA1DYRK1AMAOAMAOBALDH1A1 | |
| SCHEMBL17963013 | 0.86 | HSP90AA1 (0.57) | HSP90AA1DYRK1AMAOAMAOBALDH1A1 | |
| SCHEMBL20101038 | 0.85 | HSP90AA1 (0.71) | HSP90AA1DYRK1AMAOAMAOBALDH1A1 | |
| SCHEMBL17985747 | 0.83 | HSP90AA1 (0.76) | HSP90AA1MAOAMAOBALDH1A1CYP1A2 | |
| SCHEMBL17987878 | 0.82 | HSP90AA1 (0.55) | HSP90AA1DYRK1AMAOAMAOBALDH1A1 | |
| SCHEMBL17987886 | 0.81 | HSP90AA1 (0.54) | HSP90AA1DYRK1AMAOAMAOBALDH1A1 | |
| SCHEMBL17985741 | 0.79 | RAB9A (0.65) | HSP90AA1DYRK1AMAOAMAOBALDH1A1 | |
| SCHEMBL17987883 | 0.78 | HSP90AA1 (0.50) | HSP90AA1DYRK1AMAOAMAOBALDH1A1 | |
| SCHEMBL17987824 | 0.77 | HSP90AA1 (0.59) | HSP90AA1MAOAMAOBALDH1A1CYP1A2 | |
| SCHEMBL6715550 | 0.75 | KMT2A (0.67) | HSP90AA1MAOAMAOBALDH1A1PAX8 |
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 |