Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MELK | Q14680 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.31 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.31 |
| ▸ | USP30 | Q70CQ3 | 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 | |
|---|---|---|---|---|
| SCHEMBL24757043 | 0.88 | AAK1 (0.33) | AAK1ALDH1A1MAPTKDM4EHPGD | |
| SCHEMBL30537698 | 0.82 | MEN1 (0.32) | MEN1KMT2A | |
| SCHEMBL25405428 | 0.82 | MEN1 (0.32) | MEN1KMT2A | |
| SCHEMBL29813410 | 0.82 | AAK1 (0.34) | AAK1ALDH1A1RXFP1MAPTKDM4E | |
| SCHEMBL23496728 | 0.82 | AAK1 (0.34) | AAK1ALDH1A1RXFP1MAPTKDM4E | |
| SCHEMBL25643117 | 0.80 | ALDH1A1 (0.38) | AAK1ALDH1A1RXFP1MAPTKDM4E | |
| SCHEMBL24717500 | 0.77 | NPC1 (0.32) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL30014975 | 0.77 | NPC1 (0.32) | ALDH1A1MAPTKDM4EHPGDMEN1 | |
| SCHEMBL28807303 | 0.77 | BRAF (0.30) | — | |
| SCHEMBL29813229 | 0.77 | BRAF (0.30) | — |
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-2023104018-A1 | SUBSTITUTED BICYCLIC HETEROARYL COMPOUND AS KRAS G12D INHIBITOR | 苏州浦合医药科技有限公司 | 2023-06-15 | — | — | WO | disclosed |