Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYD88 | Q99836 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29078406 | 0.90 | MYD88 (0.68) | MYD88MEN1PABPC1KMT2APOLB | |
| SCHEMBL29078383 | 0.89 | MYD88 (0.51) | MYD88MEN1PABPC1KMT2APOLB | |
| SCHEMBL30585253 | 0.87 | TSHR (0.47) | MYD88KMT2APOLBSMN1; SMN2HTT | |
| SCHEMBL30585260 | 0.86 | TSHR (0.53) | MYD88MEN1PABPC1KMT2APOLB | |
| SCHEMBL28954891 | 0.79 | MYD88 (0.85) | MYD88MEN1PABPC1KMT2ASMN1; SMN2 | |
| SCHEMBL29078394 | 0.79 | MEN1 (0.60) | MYD88MEN1PABPC1KMT2APOLB | |
| SCHEMBL29078409 | 0.76 | TSHR (0.47) | MYD88MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL29078367 | 0.76 | CHKA (0.47) | SMN1; SMN2HTTLMNAALDH1A1GAA | |
| SCHEMBL30585249 | 0.76 | CHKA (0.47) | SMN1; SMN2HTTLMNAALDH1A1GAA | |
| SCHEMBL30585285 | 0.74 | ALDH1A1 (0.46) | MYD88SMN1; SMN2HTTLMNAKCNJ1 |
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-116803981-A | Piperazine-containing amide or sulfonamide anti-inflammatory compound and preparation method and application thereof | 温州医科大学 | 2023-09-26 | — | — | CN | claimed |
| CN-116803981-A | Piperazine-containing amide or sulfonamide anti-inflammatory compound and preparation method and application thereof | 温州医科大学 | 2023-09-26 | — | — | CN | disclosed |