Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CGAS | Q8N884 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24313748 | 0.81 | IDO1 (0.40) | CYP11B1 | |
| SCHEMBL29588780 | 0.81 | IDO1 (0.40) | CYP11B1 | |
| SCHEMBL12174445 | 0.77 | ERN1 (0.44) | ALDH1A1LMNAPDE4BPDE4DTSHR | |
| SCHEMBL14641983 | 0.72 | ERN1 (0.43) | ALDH1A1LMNAPDE4BPDE4DTSHR | |
| SCHEMBL22103530 | 0.70 | ERN1 (0.39) | ALDH1A1PDE4BPDE4DTSHR | |
| SCHEMBL1239793 | 0.70 | ALDH1A1 (0.59) | CYP11B1CYP11B2CYP19A1CGASALDH1A1 | |
| SCHEMBL1239502 | 0.69 | CYP11B1 (0.56) | CYP11B1CYP11B2CYP19A1CGASALDH1A1 | |
| SCHEMBL28090546 | 0.68 | CYP11B1 (0.48) | CYP11B1CYP11B2CYP19A1CGASALDH1A1 | |
| SCHEMBL24313743 | 0.67 | HTR2A (0.42) | ALDH1A1PDE4BPDE4DHSD17B10 | |
| SCHEMBL25188700 | 0.66 | CD38 (0.47) | CYP2D6CYP2C19 |
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-2022081842-A1 | SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER | THE BROAD INSTITUTE, INC. (US) | 2022-04-21 | — | — | WO | disclosed |