Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3605682 | 0.76 | CES2 (0.39) | CES2CES1NOS2EPHX1MGLL | |
| SCHEMBL27791050 | 0.74 | CES2 (0.38) | CES2CES1NOS2EPHX1MGLL | |
| SCHEMBL8464246 | 0.74 | CES2 (0.38) | CES2CES1NOS2EPHX1MGLL | |
| SCHEMBL11211286 | 0.74 | CES2 (0.38) | CES2CES1NOS2EPHX1MGLL | |
| SCHEMBL11210860 | 0.74 | CES2 (0.38) | CES2CES1NOS2EPHX1MGLL | |
| SCHEMBL1000536 | 0.74 | MGLL (0.39) | CES2CES1NOS2EPHX1MGLL | |
| SCHEMBL1315866 | 0.73 | CES2 (0.33) | CES2CES1MGLL | |
| SCHEMBL951792 | 0.72 | CES2 (0.36) | CES2CES1EPHX1MGLLHDAC8 | |
| Hydrochloric Acid SCHEMBL29945534 | 0.72 | CES2 (0.36) | CES2CES1EPHX1MGLLHDAC8 | |
| SCHEMBL11402454 | 0.72 | EPHX1 (0.39) | CES2CES1EPHX1MGLLHDAC8 |
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-2021127217-A1 | COMBINATION ANTI-CANCER THERAPIES WITH INDUCERS OF IRON-DEPENDENT CELLULAR DISASSEMBLY | FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) | 2021-06-24 | — | — | WO | disclosed |