Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 7/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL30905535 | 1.00 | GRM2 (0.43) | GRM2IKBKBKDM4EUSP2ALDH1A1 | |
| SCHEMBL27401986 | 0.88 | GABRG2 (0.42) | KDM4EALDH1A1GAATSHRMAPT | |
| SCHEMBL30905489 | 0.88 | GABRG2 (0.42) | KDM4EALDH1A1GAATSHRMAPT | |
| SCHEMBL30905481 | 0.85 | GRM2 (0.46) | GRM2IKBKBLRRK2ACHE | |
| SCHEMBL27397760 | 0.85 | GRM2 (0.46) | GRM2IKBKBLRRK2ACHE | |
| SCHEMBL30905539 | 0.80 | IKBKB (0.41) | IKBKBKDM4EALDH1A1MAPTIRAK4 | |
| SCHEMBL27397408 | 0.80 | IKBKB (0.41) | IKBKBKDM4EALDH1A1MAPTIRAK4 | |
| SCHEMBL30971130 | 0.77 | IKBKB (0.40) | IKBKBKDM4EUSP2ALDH1A1GAA | |
| SCHEMBL30905537 | 0.76 | GRM2 (0.39) | GRM2KDM4EALDH1A1GAAHPGD | |
| SCHEMBL27397854 | 0.76 | GRM2 (0.39) | GRM2KDM4EALDH1A1GAAHPGD |
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-2024112853-A1 | COMPOUNDS THAT INHIBIT PKMYT1 | EXELIXIS, INC. (US) | 2024-05-30 | — | — | WO | disclosed |