Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.34 |
| ▸ | FDPS | P14324 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 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 | |
|---|---|---|---|---|
| SCHEMBL28925131 | 0.80 | EPHX1 (0.34) | TDP1HPGD | |
| SCHEMBL28647883 | 0.72 | ALOX15 (0.57) | ALOX15ALDH1A1USP2GGPS1FDPS | |
| SCHEMBL28647885 | 0.72 | ALOX15 (0.57) | ALOX15ALDH1A1USP2GGPS1FDPS | |
| SCHEMBL6796980 | 0.70 | ALOX15 (0.43) | ALOX15ALDH1A1USP2GGPS1FDPS | |
| SCHEMBL24492349 | 0.69 | ALOX15 (0.43) | ALOX15ALDH1A1USP2GGPS1FDPS | |
| SCHEMBL24574354 | 0.69 | ALOX15 (0.43) | ALOX15ALDH1A1USP2GGPS1FDPS | |
| SCHEMBL27243524 | 0.68 | ALOX15 (0.47) | ALOX15ALDH1A1USP2GGPS1FDPS | |
| SCHEMBL27243515 | 0.68 | ALOX15 (0.47) | ALOX15ALDH1A1USP2GGPS1FDPS | |
| SCHEMBL14472626 | 0.68 | ALOX15 (0.51) | ALOX15ALDH1A1USP2GGPS1FDPS | |
| SCHEMBL29466607 | 0.68 | MAPT (0.56) | ALOX15ALDH1A1TSHRTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115433207-A | Macrocyclic heterocyclic compound as EGFR inhibitor and application thereof | 南京圣和药业股份有限公司 | 2022-12-06 | — | — | CN | disclosed |
| CN-114656482-A | Macrocyclic heterocyclic compound as EGFR inhibitor and application thereof | 南京圣和药业股份有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-113527335-A | Macrocyclic compound as EGFR inhibitor and application thereof | 南京圣和药业股份有限公司 | 2021-10-22 | — | — | CN | disclosed |