Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.40 |
| ▸ | RAB9A | P51151 | 8/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | RIPK2 | O43353 | 3/20 | 0.34 |
| ▸ | LCK | P06239 | 3/20 | 0.34 |
| ▸ | KDR | P35968 | 3/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5080801 | 0.77 | PTK6 (0.39) | NPC1RAB9AKDM4ETDP1L3MBTL1 | |
| SCHEMBL6760635 | 0.74 | PTK6 (0.41) | NPC1RAB9AKDM4ETDP1L3MBTL1 | |
| SCHEMBL30093444 | 0.72 | GAA (0.45) | NPC1RAB9AKDM4ETDP1L3MBTL1 | |
| SCHEMBL4048510 | 0.72 | GAA (0.45) | NPC1RAB9AKDM4ETDP1L3MBTL1 | |
| SCHEMBL16736489 | 0.72 | NPC1 (0.53) | NPC1RAB9AKDM4ETDP1L3MBTL1 | |
| SCHEMBL28723880 | 0.72 | MEN1 (0.46) | NPC1RAB9AKDM4ETDP1L3MBTL1 | |
| SCHEMBL9117566 | 0.70 | P2RX7 (0.40) | NPC1RAB9AKDM4ETDP1L3MBTL1 | |
| SCHEMBL5541837 | 0.70 | NPC1 (0.41) | NPC1RAB9AKDM4ETDP1L3MBTL1 | |
| SCHEMBL2999828 | 0.70 | TERT (0.45) | NPC1RAB9AKDM4ETDP1L3MBTL1 | |
| SCHEMBL38662569 | 0.70 | IRAK4 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115768771-A | Arylsulfonyl derivatives and their use as muscarinic acetylcholine receptor M5 inhibitors | 范德堡大学 | 2023-03-07 | — | — | CN | disclosed |