Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 14/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SIRT6 | Q8N6T7 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20367095 | 0.89 | MAPT (0.45) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL8804807 | 0.83 | MAPT (0.47) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL10747326 | 0.82 | PDE3B (0.52) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL111292 | 0.82 | LMNA (0.66) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL22652017 | 0.82 | MAPT (0.41) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL22652112 | 0.82 | MAPT (0.41) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4313012 | 0.81 | HPGD (0.44) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL9693408 | 0.81 | MAPT (0.65) | HPGDMAPTALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL3214435 | 0.80 | SIRT6 (0.66) | MAPTALDH1A1L3MBTL1SIRT6MAPK1 | |
| SCHEMBL29364229 | 0.80 | ALDH1A1 (0.70) | HPGDMAPTALDH1A1CYP1A2CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108276410-B | Anaplastic lymphoma kinase inhibitor and preparation method and application thereof | 首药控股(北京)股份有限公司 | 2021-12-10 | — | — | CN | disclosed |
| WO-2018127184-A1 | ANAPLASTIC LYMPHOMA KINASE INHIBITOR AND PREPARATION METHOD AND USE THEREOF | 北京赛林泰医药技术有限公司 | 2018-07-12 | — | — | WO | disclosed |