Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL558304 | 0.75 | NPC1 (0.62) | NPC1KCNH2RAB9ANPSR1PKM | |
| SCHEMBL18550725 | 0.75 | RAB9A (0.67) | NPC1RAB9ANPSR1PKMEPHX1 | |
| SCHEMBL21242839 | 0.74 | MAPT (0.47) | NPC1RAB9ANPSR1ALDH1A1MEN1 | |
| SCHEMBL2783145 | 0.74 | NPC1 (0.68) | NPC1KCNH2RAB9ANPSR1PKM | |
| SCHEMBL19270392 | 0.73 | NPC1 (0.62) | NPC1KCNH2RAB9ANPSR1PKM | |
| SCHEMBL29331631 | 0.73 | RAB9A (0.75) | NPC1RAB9ANPSR1PKMEPHX1 | |
| SCHEMBL2522214 | 0.73 | NPC1 (1.00) | NPC1KCNH2RAB9ANPSR1PKM | |
| SCHEMBL856085 | 0.73 | EPHX1 (0.59) | NPC1KCNH2RAB9ANPSR1EPHX1 | |
| SCHEMBL5458132 | 0.72 | RAB9A (0.75) | NPC1KCNH2RAB9ANPSR1EPHX1 | |
| SCHEMBL5462247 | 0.72 | PLK1 (0.67) | NPC1RAB9ANPSR1EPHX1ALDH1A1 |
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-2019149244-A1 | JAK INHIBITOR AND USE THEREOF | 南京明德新药研发股份有限公司 | 2019-08-08 | — | — | WO | disclosed |