Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | MYD88 | Q99836 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL30585260 | 0.91 | TSHR (0.53) | TSHRALDH1A1LMNANPC1S1PR2 | |
| SCHEMBL29078361 | 0.87 | MYD88 (0.55) | TSHRALDH1A1LMNANPC1HTT | |
| SCHEMBL29078406 | 0.81 | MYD88 (0.68) | TSHRALDH1A1LMNAMAPTHTT | |
| SCHEMBL29078409 | 0.80 | TSHR (0.47) | TSHRALDH1A1LMNANPC1HTT | |
| SCHEMBL29078375 | 0.79 | CHKA (0.50) | ALDH1A1LMNANPC1SIGMAR1FAAH | |
| SCHEMBL30585266 | 0.79 | CHKA (0.50) | ALDH1A1LMNANPC1SIGMAR1FAAH | |
| SCHEMBL29078372 | 0.77 | ALDH1A1 (0.61) | ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL30585261 | 0.77 | ALDH1A1 (0.61) | ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL29078383 | 0.75 | MYD88 (0.51) | ALDH1A1LMNANPC1MAPTHTT | |
| SCHEMBL29078393 | 0.73 | ACHE (0.53) | ALDH1A1LMNAKMT2ASIGMAR1FAAH |
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 |