Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.69 |
| ▸ | LDHA | P00338 | 2/20 | 0.68 |
| ▸ | CCR2 | P41597 | 3/20 | 0.51 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | PLA2G10 | O15496 | 3/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.45 |
| ▸ | PTGES | O14684 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | HNF4A | P41235 | 2/20 | 0.40 |
| ▸ | ACMSD | Q8TDX5 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29256720 | 0.84 | LDHA (0.52) | ALDH1A1TSHRLDHACCR2PLA2G10 | |
| SCHEMBL5208338 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRLDHACCR2DAO | |
| SCHEMBL30194196 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TSHRLDHACCR2DAO | |
| SCHEMBL7814 | 0.81 | LDHA (1.00) | ALDH1A1TSHRLDHACCR2DAO | |
| SCHEMBL7300 | 0.81 | LDHA (1.00) | ALDH1A1TSHRLDHACCR2DAO | |
| SCHEMBL6752337 | 0.79 | LDHA (0.69) | ALDH1A1TSHRLDHACCR2DAO | |
| SCHEMBL3574822 | 0.78 | PTGES (0.71) | ALDH1A1TSHRLDHAMCL1PTGES | |
| SCHEMBL27677006 | 0.76 | ALDH1A1 (0.57) | ALDH1A1TSHRLDHACCR2PLA2G10 | |
| Dimethylamine SCHEMBL4930574 | 0.76 | ALDH1A1 (0.87) | ALDH1A1TSHRCCR2DAOPLA2G10 | |
| SCHEMBL14644749 | 0.76 | HAO1 (0.47) | ALDH1A1TSHRLDHAHTR6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118221685-A | Indoles as KRAS G12D inhibitors | 艾立康药业股份有限公司 | 2024-06-21 | — | — | CN | disclosed |