Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCKDK | O14874 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.37 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30211547 | 1.00 | BCKDK (0.47) | BCKDKMAPTLMNAALDH1A1POLB | |
| SCHEMBL24898414 | 0.85 | BCKDK (0.40) | BCKDKMAPTLMNAALDH1A1POLB | |
| SCHEMBL492395 | 0.81 | POLB (0.37) | MAPTALDH1A1POLBDYRK1ATSHR | |
| SCHEMBL492471 | 0.79 | MCL1 (0.50) | BCKDKMAPTLMNAALDH1A1DYRK1A | |
| SCHEMBL260308 | 0.79 | RXFP1 (0.41) | MAPTALDH1A1POLBDYRK1AKDM4E | |
| SCHEMBL30209249 | 0.79 | RXFP1 (0.41) | MAPTALDH1A1POLBDYRK1AKDM4E | |
| SCHEMBL12211158 | 0.79 | MCL1 (0.47) | MAPTLMNAALDH1A1POLBDYRK1A | |
| SCHEMBL261543 | 0.76 | PRKAG1 (0.45) | MAPTLMNAALDH1A1POLBDYRK1A | |
| SCHEMBL22672607 | 0.76 | EIF4A3 (0.44) | MAPTLMNAPOLBMAPK1TP53 | |
| SCHEMBL1573241 | 0.75 | DYRK1A (0.45) | LMNADYRK1AMAPK1TP53NFKB1 |
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-2023288242-A1 | PI3Kα INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-01-19 | — | — | WO | disclosed |