Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.38 |
| ▸ | FDPS | P14324 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28647885 | 1.00 | ALOX15 (0.57) | ALOX15ALDH1A1USP2TSHRPOLB | |
| SCHEMBL8221270 | 0.80 | TSHR (0.41) | ALOX15ALDH1A1USP2TSHRCHRNB2 | |
| SCHEMBL1477739 | 0.79 | ALOX15 (0.53) | ALOX15ALDH1A1USP2TSHRPOLB | |
| SCHEMBL4940951 | 0.79 | ALOX15 (0.53) | ALOX15ALDH1A1USP2TSHRPOLB | |
| SCHEMBL1478231 | 0.79 | ALOX15 (0.53) | ALOX15ALDH1A1USP2TSHRPOLB | |
| SCHEMBL29236916 | 0.79 | CHRNB2 (0.37) | ALOX15ALDH1A1TSHRCHRNB2CHRNB4 | |
| SCHEMBL16244314 | 0.77 | ALOX15 (0.48) | ALOX15ALDH1A1TSHRPOLBCHRNB2 | |
| SCHEMBL30357063 | 0.76 | ALOX15 (0.50) | ALOX15TSHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL224692 | 0.75 | ALOX15 (0.46) | ALOX15TSHRCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL29261046 | 0.75 | CHRNB2 (0.42) | ALOX15ALDH1A1TSHRCHRNB2CHRNB4 |
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 4 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-114163454-A | Pyridine-containing polycyclic derivative inhibitor, and preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-03-11 | — | — | 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 |