Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.58 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | RGS12 | O14924 | 1/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.56 |
| ▸ | ABL1 | P00519 | 1/20 | 0.56 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4206360 | 0.89 | HDAC2 (0.58) | NPC1RAB9AHDAC2KMT2ASMN1; SMN2 | |
| SCHEMBL29020540 | 0.81 | RGS12 (0.52) | NPC1RAB9AHDAC3PTK2HDAC1 | |
| SCHEMBL29020552 | 0.80 | NPC1 (0.56) | NPC1RAB9AHDAC3PTK2HDAC1 | |
| SCHEMBL29020544 | 0.80 | KMT2A (0.54) | NPC1RAB9AHDAC3PTK2HDAC1 | |
| SCHEMBL29020522 | 0.77 | MAPT (0.64) | NPC1RAB9AKMT2ARGS12ADRB2 | |
| SCHEMBL30498865 | 0.77 | KMT2A (0.52) | NPC1RAB9AHDAC3PTK2HDAC1 | |
| SCHEMBL4216784 | 0.76 | HDAC2 (0.61) | NPC1RAB9AHDAC2KMT2ASMN1; SMN2 | |
| SCHEMBL4210891 | 0.75 | HDAC2 (0.60) | NPC1RAB9AHDAC2KMT2ASMN1; SMN2 | |
| SCHEMBL4206094 | 0.75 | CYP3A4 (0.69) | NPC1RAB9AHDAC2KMT2ASMN1; SMN2 | |
| SCHEMBL1073002 | 0.74 | NPC1 (1.00) | NPC1RAB9AKMT2ASMN1; SMN2MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113402473-B | Thiotriazole compound, preparation method and application thereof | 四川省医学科学院·四川省人民医院 | 2023-06-23 | — | — | CN | disclosed |
| CN-113402473-A | Thiotriazole compound, preparation method and application thereof | 四川省医学科学院·四川省人民医院 | 2021-09-17 | — | — | CN | disclosed |