Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 4/20 | 0.43 |
| ▸ | KDM1B | Q8NB78 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 5/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL28959780 | 0.82 | KDM1A (0.40) | KDM1AKDM1BDYRK1ACLK4MAOB | |
| SCHEMBL20610266 | 0.76 | PGR (0.41) | DYRK1ACLK4BACE1KCNH2MAOB | |
| SCHEMBL28646266 | 0.71 | DYRK1A (0.50) | KDM1ADYRK1ACLK4MAOBNOTUM | |
| SCHEMBL196765 | 0.66 | CYP3A4 (0.73) | DYRK1ACLK4MAOBNOTUMKDM4E | |
| SCHEMBL29489425 | 0.66 | CYP3A4 (0.73) | DYRK1ACLK4MAOBNOTUMKDM4E | |
| Hydrogen Sulfide SCHEMBL28640169 | 0.64 | CYP3A4 (0.70) | DYRK1ACLK4MAOBNOTUMKDM4E | |
| SCHEMBL29628977 | 0.64 | CYP3A4 (0.77) | DYRK1ACLK4MAOBNOTUMCYP3A4 | |
| Ammonia Solution, Strong SCHEMBL27960505 | 0.64 | CYP3A4 (0.70) | DYRK1ACLK4MAOBNOTUMKDM4E | |
| SCHEMBL15624598 | 0.64 | NFE2L2 (0.59) | DYRK1ACLK4MAOBKDM4ECYP3A4 | |
| SCHEMBL1180343 | 0.62 | ABL1 (0.69) | DYRK1ACLK4MAOBCYP3A4CYP1A1 |
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-109890819-B | Heterocyclic compounds as immunomodulators | 因赛特公司 | 2022-11-22 | — | — | CN | disclosed |