Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.44 |
| ▸ | MYD88 | Q99836 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 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 | |
|---|---|---|---|---|
| SCHEMBL30585260 | 0.83 | TSHR (0.53) | TSHRMYD88KDM4EPOLBHTT | |
| SCHEMBL29078383 | 0.80 | MYD88 (0.51) | DRD2MYD88POLBHTTNPC1 | |
| SCHEMBL30585253 | 0.80 | TSHR (0.47) | TSHRMYD88POLBHTTNPC1 | |
| SCHEMBL29078361 | 0.76 | MYD88 (0.55) | TSHRMYD88POLBHTTNPC1 | |
| SCHEMBL29078402 | 0.76 | ALDH1A1 (0.62) | TSHRDRD2KDM4EPOLBHTT | |
| SCHEMBL29078406 | 0.76 | MYD88 (0.68) | TSHRMYD88KDM4EPOLBHTT | |
| SCHEMBL30585247 | 0.75 | HTR7 (0.46) | CA1CA2CA7POLBNPC1 | |
| SCHEMBL29078377 | 0.75 | HTR7 (0.46) | CA1CA2CA7POLBNPC1 | |
| SCHEMBL19303544 | 0.72 | TSHR (0.63) | TSHRKDM4EPOLBHTTNPC1 | |
| SCHEMBL29078379 | 0.70 | KMT2A (0.54) | CA1CA2CA7DRD2KDM4E |
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 |