Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | USP21 | Q9UK80 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28523749 | 0.76 | ADORA1 (0.55) | ADORA1CYP3A4PI4KBLCKNPC1 | |
| SCHEMBL30944326 | 0.76 | ADORA1 (0.55) | ADORA1CYP3A4PI4KBLCKNPC1 | |
| SCHEMBL30944297 | 0.76 | ADORA1 (0.55) | ADORA1CYP3A4PI4KBLCKNPC1 | |
| SCHEMBL30944373 | 0.75 | ADORA1 (0.98) | ADORA1CYP3A4PI4KBLCKNPC1 | |
| SCHEMBL30944341 | 0.75 | ADORA1 (0.80) | ADORA1CYP3A4LCKNPC1RAB9A | |
| SCHEMBL30944357 | 0.75 | ADORA1 (0.56) | ADORA1CYP3A4PI4KBLCKNPC1 | |
| SCHEMBL30944376 | 0.74 | ADORA1 (1.00) | ADORA1CYP3A4PI4KBLCKNPC1 | |
| SCHEMBL30944352 | 0.71 | DYRK1A (0.63) | ADORA1LCKNPC1RAB9AKMT2A | |
| SCHEMBL30944303 | 0.68 | DYRK1A (0.65) | ADORA1ADORA2ADYRK1A | |
| SCHEMBL31236382 | 0.68 | DYRK1A (0.65) | ADORA1ADORA2ADYRK1A |
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 |