Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.52 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.49 |
| ▸ | GCGR | P47871 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28352286 | 0.82 | CYP11B1 (0.74) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30610425 | 0.82 | CYP11B1 (0.74) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29158048 | 0.79 | RPS6KA3 (0.49) | RPS6KA3SLC22A12PTGS2KMT2AKDM4E | |
| SCHEMBL20522353 | 0.79 | CYP11B1 (0.56) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30610437 | 0.79 | CYP11B1 (0.56) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29157896 | 0.78 | GAA (0.48) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16385595 | 0.77 | CYP11B1 (0.49) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21803770 | 0.76 | CYP11B1 (0.55) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21104871 | 0.76 | CYP11B1 (0.61) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19243792 | 0.76 | SLC22A12 (0.50) | CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6 |
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-109843879-B | Benzothiazole derivatives as DYRK1 inhibitors | 药物治疗股份有限公司 | 2023-05-02 | — | — | CN | disclosed |