Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28656944 | 1.00 | CHRNB2 (0.40) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL29261048 | 0.88 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL29261046 | 0.88 | CHRNB2 (0.42) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL6908143 | 0.84 | CA2 (0.44) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL21143359 | 0.83 | ALDH1A1 (0.33) | CHRNB2CHRNA4CHRNB4CHRNA3LMNA | |
| SCHEMBL19302152 | 0.82 | PTPN1 (0.40) | ALOX15SMN1; SMN2LMNATSHRBLM | |
| SCHEMBL28289298 | 0.82 | BLM (0.35) | BLM | |
| SCHEMBL30357063 | 0.80 | ALOX15 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3ALOX15 | |
| SCHEMBL21143382 | 0.80 | MAPT (0.42) | LMNAKDM4ETSHR | |
| SCHEMBL21143369 | 0.80 | MGAM (0.38) | CHRNB2CHRNA4CHRNB4CHRNA3LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114057771-B | Macrocyclic compounds, their preparation and use | 北京鞍石生物科技有限责任公司 | 2023-10-03 | — | — | CN | disclosed |
| 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-114057771-A | Macrocyclic compound and preparation method and application thereof | 北京鞍石生物科技有限责任公司 | 2022-02-18 | — | — | 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 |