Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30033480 | 1.00 | ESR1 (0.39) | ESR1ESR2MAP3K5ALOX15ALOX12 | |
| SCHEMBL11546049 | 0.84 | CYP1A2 (0.44) | ESR1ESR2ALOX15ALOX12HIF1A | |
| SCHEMBL21561726 | 0.81 | MAPK1 (0.46) | ESR1ESR2ALOX15ALOX12HIF1A | |
| SCHEMBL12806570 | 0.78 | MBOAT4 (0.42) | ESR1ESR2GABRA1GABRB2CYP2C9 | |
| SCHEMBL135004 | 0.74 | KLF10 (0.36) | ESR1ESR2MAP3K5ALOX15ALOX12 | |
| SCHEMBL18899605 | 0.74 | ESR1 (0.46) | ESR1ESR2MAP3K5GABRA1GABRB2 | |
| SCHEMBL19657226 | 0.74 | NR1H4 (0.41) | TSHRNR1H4MAPT | |
| SCHEMBL2585723 | 0.74 | HPGD (0.40) | ESR1ESR2ALOX15ALOX12HIF1A | |
| SCHEMBL30812285 | 0.74 | ALOX15 (0.63) | ESR1ESR2ALOX15ALOX12HIF1A | |
| SCHEMBL5950693 | 0.74 | HSD17B10 (0.40) | ESR1ESR2MAP3K5ALOX15ALOX12 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116057059-B | Deuterated compounds useful as KRAS G12D inhibitors | 南京燧坤智能科技有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-116057059-A | Deuterated compounds useful as KRAS G12D inhibitors | 南京燧坤智能科技有限公司 | 2023-05-02 | — | — | CN | disclosed |