Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MYD88 | Q99836 | 1/20 | 0.45 |
| ▸ | CHKA | P35790 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BAZ1A | Q9NRL2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29078366 | 1.00 | ALDH1A1 (0.45) | ALDH1A1KDM4ELMNATDP1MYD88 | |
| SCHEMBL29078367 | 0.92 | CHKA (0.47) | ALDH1A1LMNACHKASMN1; SMN2CCR2 | |
| SCHEMBL30585249 | 0.92 | CHKA (0.47) | ALDH1A1LMNACHKASMN1; SMN2CCR2 | |
| SCHEMBL30585243 | 0.87 | FAAH (0.50) | ALDH1A1LMNACHKASMN1; SMN2FAAH | |
| SCHEMBL29078415 | 0.87 | FAAH (0.50) | ALDH1A1LMNACHKASMN1; SMN2FAAH | |
| SCHEMBL29078392 | 0.85 | HTR7 (0.51) | ALDH1A1LMNASMN1; SMN2MAPK1POLB | |
| SCHEMBL30585255 | 0.85 | HTR7 (0.51) | ALDH1A1LMNASMN1; SMN2MAPK1POLB | |
| SCHEMBL30585266 | 0.82 | CHKA (0.50) | ALDH1A1LMNACHKASMN1; SMN2FAAH | |
| SCHEMBL29078375 | 0.82 | CHKA (0.50) | ALDH1A1LMNACHKASMN1; SMN2FAAH | |
| SCHEMBL29078377 | 0.79 | HTR7 (0.46) | ALDH1A1LMNACHKASMN1; SMN2POLB |
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 |