Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA3 | P07451 | 3/20 | 0.42 |
| ▸ | CA4 | P22748 | 3/20 | 0.42 |
| ▸ | CA6 | P23280 | 3/20 | 0.42 |
| ▸ | CA5A | P35218 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21177406 | 0.87 | CDK1 (0.49) | ALDH1A1KDM4ECDK1HTTTSHR | |
| SCHEMBL29548598 | 0.80 | CYP1A2 (0.62) | ALDH1A1KDM4EHTTHPGDCYP1A2 | |
| SCHEMBL24270107 | 0.80 | CYP1A2 (0.62) | ALDH1A1KDM4EHTTHPGDCYP1A2 | |
| SCHEMBL21177349 | 0.77 | HPGD (0.46) | ALDH1A1KDM4ECDK1HTTTSHR | |
| SCHEMBL14117366 | 0.77 | SMN1; SMN2 (0.49) | ALDH1A1KDM4EHTTTSHRHPGD | |
| SCHEMBL28472962 | 0.74 | CDK1 (0.38) | ALDH1A1KDM4ECDK1HTTTSHR | |
| SCHEMBL21177347 | 0.74 | HPGD (0.68) | ALDH1A1KDM4ECDK1HTTCA12 | |
| SCHEMBL2800276 | 0.73 | SMN1; SMN2 (0.50) | ALDH1A1KDM4EHTTCA12CA1 | |
| SCHEMBL25908061 | 0.73 | SMN1; SMN2 (0.68) | CDK1HTTHPGDMAPK14SMN1; SMN2 | |
| SCHEMBL13162414 | 0.72 | HPGD (0.69) | HTTTSHRHPGDSMN1; SMN2NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111868063-A | PI4KIII beta inhibitors | 葛兰素史克知识产权开发有限公司 | 2020-10-30 | — | — | CN | disclosed |