Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MYD88 | Q99836 | 1/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30585268 | 0.90 | MYD88 (0.55) | ALDH1A1LMNAMYD88KDM4ESMN1; SMN2 | |
| SCHEMBL30585277 | 0.89 | IGF1R (0.47) | ALDH1A1LMNAMYD88SMN1; SMN2HTT | |
| SCHEMBL30585270 | 0.79 | ALDH1A1 (0.46) | ALDH1A1LMNAKDM4ESMN1; SMN2HTT | |
| SCHEMBL30585281 | 0.76 | KDM4E (0.42) | ALDH1A1LMNAKDM4ESMN1; SMN2MAPK1 | |
| SCHEMBL29078361 | 0.74 | MYD88 (0.55) | ALDH1A1LMNAMYD88KCNJ1KCNH2 | |
| SCHEMBL30205261 | 0.72 | MYD88 (0.48) | ALDH1A1LMNAMYD88KDM4ESMN1; SMN2 | |
| SCHEMBL29078394 | 0.71 | MEN1 (0.60) | ALDH1A1LMNAMYD88KDM4ESMN1; SMN2 | |
| SCHEMBL29078407 | 0.71 | ALDH1A1 (0.50) | ALDH1A1LMNAKCNJ1KDM4ESMN1; SMN2 | |
| SCHEMBL30585272 | 0.70 | ALDH1A1 (0.55) | ALDH1A1LMNAMYD88KDM4ESMN1; SMN2 | |
| SCHEMBL14564424 | 0.68 | ALDH1A1 (0.70) | ALDH1A1LMNAKCNJ1KCNH2KDM4E |
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-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 |