Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.58 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 9/20 | 0.48 |
| ▸ | AKR1A1 | P14550 | 4/20 | 0.48 |
| ▸ | IDH1 | O75874 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30370174 | 1.00 | HDAC6 (0.58) | HDAC6TRPV1SRD5A2NPC1RAB9A | |
| SCHEMBL30370488 | 0.90 | SRD5A2 (0.52) | HDAC6TRPV1SRD5A2NPC1RAB9A | |
| SCHEMBL29016622 | 0.90 | SRD5A2 (0.52) | HDAC6TRPV1SRD5A2NPC1RAB9A | |
| SCHEMBL29016627 | 0.80 | AKR1B1 (0.51) | HDAC6TRPV1AKR1B1AKR1A1 | |
| SCHEMBL29016605 | 0.78 | GPR52 (0.54) | TRPV1NPC1RAB9ASMN1; SMN2LIPG | |
| SCHEMBL30370117 | 0.78 | GPR52 (0.54) | TRPV1NPC1RAB9ASMN1; SMN2LIPG | |
| SCHEMBL4846117 | 0.76 | UBE2T (0.50) | NPC1RAB9ASMN1; SMN2AKR1B1AKR1A1 | |
| SCHEMBL4985555 | 0.76 | HDAC6 (0.71) | HDAC6TRPV1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL29016645 | 0.75 | DYRK1A (0.48) | HDAC6NPC1RAB9ASMN1; SMN2IDH1 | |
| SCHEMBL30370368 | 0.75 | DYRK1A (0.48) | HDAC6NPC1RAB9ASMN1; SMN2IDH1 |
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-108689942-B | Nitrogen-containing bicyclic compound, and preparation method and application thereof | 广东东阳光药业有限公司 | 2023-06-09 | — | — | CN | disclosed |