Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | LGALS3 | P17931 | 2/20 | 0.38 |
| ▸ | LGALS9 | O00182 | 1/20 | 0.38 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.38 |
| ▸ | LGALS7; LGALS7B | P47929 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LGALS4 | P56470 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NT5E | P21589 | 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 | |
|---|---|---|---|---|
| SCHEMBL28427525 | 1.00 | NPC1 (0.40) | NPC1RAB9ALGALS3LGALS9LGALS1 | |
| SCHEMBL28716111 | 0.91 | NPC1 (0.40) | NPC1RAB9ALGALS3LGALS9LGALS1 | |
| SCHEMBL25400709 | 0.90 | NPC1 (0.42) | NPC1RAB9ALGALS3LGALS9LGALS1 | |
| SCHEMBL20141708 | 0.88 | NPC1 (0.40) | NPC1RAB9ALGALS3LGALS9LGALS1 | |
| SCHEMBL28400811 | 0.86 | NPC1 (0.39) | NPC1RAB9AMAPTLMNAL3MBTL1 | |
| SCHEMBL25401960 | 0.84 | NPC1 (0.43) | NPC1RAB9ALGALS3LGALS9LGALS1 | |
| SCHEMBL28423018 | 0.82 | LGALS3 (0.42) | NPC1RAB9ALGALS3LGALS9LGALS1 | |
| SCHEMBL16774751 | 0.81 | LGALS3 (0.42) | NPC1RAB9ALGALS3LGALS9LGALS1 | |
| SCHEMBL28430166 | 0.81 | LGALS3 (0.47) | LGALS3LGALS9LGALS1MAPTLGALS4 | |
| SCHEMBL20557379 | 0.80 | HTT (0.38) | NPC1LGALS3LGALS9LGALS1LGALS7; LGALS7B |
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-112888698-A | 2 ' -halo-4 ' -thio-2 ' -deoxy-5-azacytidine analogs and methods of use thereof | 美国政府(由卫生和人类服务部的部长所代表) | 2021-06-01 | — | — | CN | disclosed |