Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30585254 | 0.84 | BCHE (0.49) | ALDH1A1KDM4ECA1CA2CA7 | |
| SCHEMBL30585250 | 0.81 | LMNA (0.54) | ALDH1A1HTR1AL3MBTL1POLB | |
| SCHEMBL30585263 | 0.78 | SIGMAR1 (0.50) | HTR1A | |
| SCHEMBL30585267 | 0.77 | L3MBTL1 (0.52) | ALDH1A1KDM4EL3MBTL1POLB | |
| SCHEMBL29078401 | 0.76 | ALDH1A1 (0.75) | ALDH1A1KDM4ENPSR1CA1CA2 | |
| SCHEMBL30585245 | 0.74 | L3MBTL1 (0.56) | ALDH1A1KDM4ENPSR1L3MBTL1POLB | |
| SCHEMBL29078379 | 0.74 | KMT2A (0.54) | ALDH1A1KDM4ECA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL21633576 | 0.73 | L3MBTL1 (0.56) | ALDH1A1L3MBTL1POLBTSHR | |
| Hydrochloric Acid SCHEMBL30763411 | 0.73 | L3MBTL1 (0.56) | ALDH1A1L3MBTL1POLBTSHR | |
| SCHEMBL4249543 | 0.72 | L3MBTL1 (0.63) | ALDH1A1L3MBTL1TSHR |
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 |