Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.36 |
| ▸ | NTRK2 | Q16620 | 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 | |
|---|---|---|---|---|
| SCHEMBL28779926 | 1.00 | KDM4E (0.40) | KDM4ENPC1USP2ALDH1A1GLA | |
| SCHEMBL30524585 | 1.00 | KDM4E (0.40) | KDM4ENPC1USP2ALDH1A1GLA | |
| SCHEMBL23520707 | 0.87 | SOS1 (0.47) | KDM4EGAALMNAHSD17B10ERBB2 | |
| SCHEMBL20327082 | 0.87 | SOS1 (0.47) | KDM4EGAALMNAHSD17B10ERBB2 | |
| SCHEMBL29663397 | 0.83 | KDM4E (0.39) | KDM4ENPC1USP2ALDH1A1GLA | |
| SCHEMBL24625297 | 0.83 | KDM4E (0.39) | KDM4ENPC1USP2ALDH1A1GLA | |
| SCHEMBL24625620 | 0.83 | KDM4E (0.39) | KDM4ENPC1USP2ALDH1A1GLA | |
| SCHEMBL29041821 | 0.81 | ELANE (0.41) | ALDH1A1MAPTHPGDHSD17B10ERBB2 | |
| SCHEMBL29041976 | 0.81 | ELANE (0.41) | ALDH1A1MAPTHPGDHSD17B10ERBB2 | |
| SCHEMBL30507817 | 0.81 | ELANE (0.41) | ALDH1A1MAPTHPGDHSD17B10ERBB2 |
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-116568689-A | Polycyclic pyrimidine derivative as SOS1 inhibitor, and preparation method and application thereof | 苏州阿尔脉生物科技有限公司 | 2023-08-08 | — | — | CN | disclosed |
| CN-116478100-A | Quinazoline derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2023-07-25 | — | — | CN | disclosed |
| WO-2022170917-A1 | POLYCYCLIC PYRIMIDINE DERIVATIVE AS SOS1 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 苏州阿尔脉生物科技有限公司 | 2022-08-18 | — | — | WO | disclosed |
| CN-114716477-A | 7-substituted phosphoryl quinazoline derivative and preparation method and application thereof | 武汉人福创新药物研发中心有限公司 | 2022-07-08 | — | — | CN | disclosed |