Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.75 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.75 |
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CA7 | P43166 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | DRD3 | P35462 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13621137 | 0.86 | ALDH1A1 (0.57) | ALDH1A1MDM2HSD17B10NPSR1MAPK1 | |
| SCHEMBL29078398 | 0.84 | ALDH1A1 (0.62) | ALDH1A1MDM2CA1CA2CA7 | |
| SCHEMBL3837995 | 0.84 | MAPK1 (0.58) | ALDH1A1MDM2HSD17B10NPSR1MAPK1 | |
| SCHEMBL6690507 | 0.83 | ALOX15 (0.59) | ALDH1A1MDM2HSD17B10KDM4ENPSR1 | |
| Hydrochloric Acid SCHEMBL3842578 | 0.82 | MAPK1 (0.57) | ALDH1A1MDM2HSD17B10NPSR1MAPK1 | |
| SCHEMBL31232814 | 0.82 | ATM (0.56) | ALDH1A1MDM2HSD17B10SMN1; SMN2DRD2 | |
| SCHEMBL13621182 | 0.81 | HTT (0.67) | ALDH1A1MDM2NPSR1SMN1; SMN2TSHR | |
| SCHEMBL29078390 | 0.81 | ALDH1A1 (0.72) | ALDH1A1MDM2CA1CA2CA7 | |
| SCHEMBL3302066 | 0.79 | ALDH1A1 (0.63) | ALDH1A1MDM2CA1CA2CA7 | |
| SCHEMBL29078387 | 0.77 | SMN1; SMN2 (0.57) | ALDH1A1NPSR1SMN1; SMN2POLBCYP1A2 |
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 |