Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 14/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.32 |
| ▸ | BCR | P11274 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL24857745 | 0.81 | ESR1 (0.38) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL24535006 | 0.81 | ESR1 (0.46) | ESR1ESR2TNFRIPK1ABCB1 | |
| SCHEMBL24176055 | 0.79 | ESR1 (0.41) | ESR1ESR2TNFRIPK1DAO | |
| SCHEMBL26666822 | 0.79 | ESR1 (0.34) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL24663180 | 0.79 | CYP3A4 (0.47) | ESR1ESR2TNFRIPK1CYP3A4 | |
| SCHEMBL26058906 | 0.78 | ESR1 (0.38) | ESR1ESR2TNFRIPK1CYP3A4 | |
| SCHEMBL31609498 | 0.76 | ESR1 (0.39) | ESR1ESR2TNFRIPK1DAO | |
| SCHEMBL26059134 | 0.76 | ESR1 (0.39) | ESR1ESR2TNFRIPK1DAO | |
| SCHEMBL24176030 | 0.76 | GABRA1 (0.40) | ESR1ESR2TNFRIPK1CYP3A4 | |
| SCHEMBL24680259 | 0.75 | ESR1 (0.48) | ESR1ESR2TNFRIPK1DAO |
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-2023274383-A1 | KRAS G12D INHIBITOR AND USE THEREOF | 上海迪诺医药科技有限公司 | 2023-01-05 | — | — | WO | disclosed |