Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 4/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5309071 | 0.86 | SLC6A4 (0.42) | HSP90AA1HSP90AB1AOC3ALDH1A1HPGD | |
| SCHEMBL5304827 | 0.86 | PRKCZ (0.41) | CHRM1ALDH1A1HPGDLMNAMMP2 | |
| SCHEMBL5301600 | 0.84 | ADRA2C (0.46) | AOC3CHRM3L3MBTL1MMP2 | |
| SCHEMBL5304740 | 0.82 | AKR1C3 (0.43) | ALDH1A1L3MBTL1 | |
| SCHEMBL5304270 | 0.77 | LMNA (0.52) | HSP90AA1HSP90AB1ALDH1A1HPGDLMNA | |
| SCHEMBL9890801 | 0.74 | CXCL8 (0.48) | HSP90AA1HSP90AB1CHRM1CHRM3CNR2 | |
| SCHEMBL9890685 | 0.72 | PTGS2 (0.53) | HSP90AA1HSP90AB1CHRM1CHRM3HPGD | |
| SCHEMBL9890803 | 0.70 | CHRM1 (0.46) | HSP90AA1HSP90AB1CHRM1CHRM3CNR2 | |
| SCHEMBL9890688 | 0.69 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1CHRM1CHRM3 | |
| SCHEMBL2391830 | 0.69 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1CHRM1CHRM3CNR2 |
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-2007017652-A2 | ARYLAKYLAMINES FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2007-02-15 | — | — | WO | disclosed |