Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAP3K12 | Q12852 | 6/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | USP7 | Q93009 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10268251 | 0.86 | MTOR (0.40) | MAP3K12PIK3CAMTORCYP3A4DDR1 | |
| SCHEMBL15412486 | 0.76 | NOS2 (0.39) | MAP3K12PIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL11745802 | 0.76 | NPC1 (0.44) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL11890838 | 0.72 | NOS3 (0.54) | HSD17B10MAP3K12PIK3CAMTORPIK3CD | |
| SCHEMBL21503558 | 0.71 | NPC1 (0.35) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL28844850 | 0.71 | FFAR4 (0.47) | NPC1TP53PKMRAB9ASMN1; SMN2 | |
| SCHEMBL21031807 | 0.71 | GLA (0.45) | MAP3K12PIK3CAMTORPIK3CDPIK3CB | |
| SCHEMBL29601287 | 0.71 | GLA (0.45) | MAP3K12PIK3CAMTORPIK3CDPIK3CB | |
| SCHEMBL20458857 | 0.71 | MAP3K12 (0.39) | NPC1RAB9AMAP3K12PIK3CAMTOR | |
| SCHEMBL26563578 | 0.71 | PARP1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023279986-A1 | SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF | 贝达药业股份有限公司 | 2023-01-12 | — | — | WO | disclosed |