Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHMT2 | P34897 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | AKT1 | P31749 | 4/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL29676253 | 0.88 | MAPK1 (0.44) | MAPK1CYP1A2RAB9AKDM4EALDH1A1 | |
| SCHEMBL29676029 | 0.75 | PIK3CA (0.50) | SHMT2MAPK1PIK3CDRAB9AKDM4E | |
| SCHEMBL29675667 | 0.75 | NPC1 (0.43) | SHMT2MAPK1MCHR1CYP1A2RAB9A | |
| SCHEMBL29675386 | 0.74 | NPC1 (0.44) | MAPK1RAB9AKDM4EALDH1A1 | |
| SCHEMBL29676240 | 0.74 | CYP3A4 (0.35) | MAPK1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29675600 | 0.73 | CYP3A4 (0.35) | MAPK1CYP3A4CYP2C9RAB9AKDM4E | |
| SCHEMBL29676085 | 0.73 | MAPK1 (0.37) | MAPK1CYP3A4CYP2C9RAB9AKDM4E | |
| SCHEMBL29675453 | 0.70 | SHMT2 (0.47) | SHMT2MAPK1AKT1PIK3CDPIK3CB | |
| SCHEMBL23343788 | 0.68 | MAPK1 (0.45) | MAPK1RAB9AKDM4EALDH1A1 | |
| SCHEMBL14558284 | 0.67 | MEN1 (0.48) | TSHRCYP1A2CYP2C9CYP2C19RAB9A |
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-108617166-B | Protein kinase inhibitor benzolactam compounds | 大冢制药株式会社 | 2022-05-17 | — | — | CN | claimed |