Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.55 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 5/20 | 0.42 |
| ▸ | CDK2 | P24941 | 5/20 | 0.42 |
| ▸ | CDK3 | Q00526 | 5/20 | 0.42 |
| ▸ | CDK1 | P06493 | 2/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.42 |
| ▸ | CETP | P11597 | 3/20 | 0.40 |
| ▸ | FFAR2 | O15552 | 2/20 | 0.38 |
| ▸ | GRK2 | P25098 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | FSCN1 | Q16658 | 1/20 | 0.37 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30944297 | 1.00 | ADORA1 (0.55) | ADORA1LCKCYP3A4PI4KBCCNE1 | |
| SCHEMBL30944357 | 0.99 | ADORA1 (0.56) | ADORA1LCKCYP3A4PI4KBCCNE1 | |
| SCHEMBL30944292 | 0.81 | ADORA1 (0.39) | ADORA1LCKCCNE1CDK2CDK3 | |
| SCHEMBL28529397 | 0.81 | ADORA1 (0.39) | ADORA1LCKCCNE1CDK2CDK3 | |
| SCHEMBL30944352 | 0.80 | DYRK1A (0.63) | ADORA1LCKDYRK1AFSCN1MEN1 | |
| SCHEMBL30944326 | 0.78 | ADORA1 (0.55) | ADORA1LCKCYP3A4PI4KBCETP | |
| SCHEMBL30944314 | 0.76 | ADORA1 (0.58) | ADORA1LCKCYP3A4PI4KBCCNE1 | |
| SCHEMBL30944315 | 0.75 | P2RX7 (0.47) | NPC1RAB9AKMT2A | |
| SCHEMBL30944373 | 0.72 | ADORA1 (0.98) | ADORA1LCKCYP3A4PI4KBADORA2A | |
| SCHEMBL30944341 | 0.72 | ADORA1 (0.80) | ADORA1LCKCYP3A4ADORA2ADYRK1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118772080-A | Antimycobacterial heterocyclic amides | 克莱斯通公司 | 2024-10-15 | — | — | CN | claimed |
| CN-112423746-A | Novel anti-mycobacterial heterocyclic amides | 克莱斯通公司 | 2021-02-26 | — | — | CN | claimed |
| CN-118772080-A | Antimycobacterial heterocyclic amides | 克莱斯通公司 | 2024-10-15 | — | — | CN | disclosed |
| CN-112423746-B | Novel antimycobacterial heterocyclic amides | 克莱斯通公司 | 2024-06-28 | — | — | CN | disclosed |