Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | GRM5 | P41594 | 3/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL21113603 | 0.75 | CA12 (0.54) | NPSR1CA12CA2CA9CA1 | |
| SCHEMBL2552447 | 0.73 | APP (0.55) | NPC1MTORRAB9ANPSR1APP | |
| SCHEMBL28852909 | 0.73 | ALDH1A1 (0.42) | NPC1MTORRAB9ACA2MAPT | |
| SCHEMBL28852821 | 0.73 | NPC1 (0.42) | NPC1MTORRAB9ANPSR1APP | |
| SCHEMBL28852810 | 0.72 | NPC1 (0.41) | NPC1MTORRAB9ANPSR1APP | |
| SCHEMBL28852744 | 0.72 | VCP (0.41) | NPC1MTORRAB9ANPSR1APP | |
| Diphenylacetylene SCHEMBL27721387 | 0.72 | APP (0.60) | NPC1MTORRAB9ANPSR1APP | |
| SCHEMBL28852782 | 0.71 | MMP2 (0.40) | NPC1MTORRAB9ANPSR1CA12 | |
| SCHEMBL22326439 | 0.70 | MAPT (0.50) | NPC1MTORRAB9ANPSR1APP | |
| SCHEMBL28700018 | 0.70 | NPC1 (0.68) | NPC1MTORRAB9ANPSR1APP |
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-108178770-B | Method for synthesizing α -amino boron compound | 华南理工大学 | 2020-04-28 | — | — | CN | claimed |
| CN-115232071-A | Method for synthesizing 2,3, 4-trisubstituted quinoline compound by zinc catalysis | 鲁东大学 | 2022-10-25 | — | — | CN | disclosed |
| CN-108178770-B | Method for synthesizing α -amino boron compound | 华南理工大学 | 2020-04-28 | — | — | CN | disclosed |