Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.80 |
| ▸ | RAB9A | P51151 | 4/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CLK1 | P49759 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | LCK | P06239 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30944373 | 0.91 | ADORA1 (0.98) | ADORA1RAB9ANPC1CYP2C19DYRK1A | |
| SCHEMBL30944376 | 0.89 | ADORA1 (1.00) | ADORA1RAB9ANPC1CYP2C19DYRK1A | |
| SCHEMBL30944352 | 0.86 | DYRK1A (0.63) | ADORA1RAB9ANPC1CYP2C19DYRK1A | |
| SCHEMBL28527314 | 0.83 | DYRK1A (0.65) | ADORA1DYRK1ACYP2D6ADORA2ALRRK2 | |
| SCHEMBL28518062 | 0.83 | DYRK1A (0.65) | ADORA1DYRK1ACYP2D6ADORA2ALRRK2 | |
| SCHEMBL30944303 | 0.83 | DYRK1A (0.65) | ADORA1DYRK1ACYP2D6ADORA2ALRRK2 | |
| SCHEMBL31236382 | 0.83 | DYRK1A (0.65) | ADORA1DYRK1ACYP2D6ADORA2ALRRK2 | |
| SCHEMBL30944291 | 0.82 | ADORA1 (0.58) | ADORA1RAB9ANPC1CYP2C19DYRK1A | |
| SCHEMBL28530522 | 0.82 | ADORA1 (0.58) | ADORA1RAB9ANPC1CYP2C19DYRK1A | |
| SCHEMBL30944362 | 0.81 | DYRK1A (0.67) | ADORA1DYRK1ACYP2D6ADORA2ALRRK2 |
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 3 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-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 |