Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17894000 | 1.00 | AOC3 (0.41) | AOC3KDM4ECYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL172311 | 0.82 | AOC3 (0.40) | AOC3KDM4ECYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL16055075 | 0.80 | TSHR (0.43) | AOC3ALDH1A1LMNAHTTGRM5 | |
| SCHEMBL21045724 | 0.80 | KCNQ3 (0.44) | AOC3KDM4EALDH1A1HTTGRM5 | |
| SCHEMBL13990852 | 0.80 | KCNQ3 (0.38) | AOC3KDM4EALDH1A1LMNAHTT | |
| SCHEMBL15527815 | 0.80 | AOC3 (0.43) | AOC3KDM4ECYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL20116483 | 0.80 | ENPP1 (0.49) | KDM4EALDH1A1MAPTRAB9AENPP1 | |
| SCHEMBL1424930 | 0.78 | NPC1 (0.43) | KDM4ECYP1A2CYP2C19ALDH1A1MAPT | |
| SCHEMBL30503613 | 0.78 | NPC1 (0.43) | KDM4ECYP1A2CYP2C19ALDH1A1MAPT | |
| SCHEMBL13990722 | 0.77 | KMT2A (0.38) | AOC3KDM4EALDH1A1HTTGRM5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4010334-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | Novartis AG (CH) | 2022-06-15 | — | — | EP | disclosed |