Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | TSPO | P30536 | 2/20 | 0.49 |
| ▸ | APLNR | P35414 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29234307 | 0.91 | MEN1 (0.53) | TSHRUSP2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL25827873 | 0.90 | ALDH1A1 (0.53) | TSHRUSP2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL29234164 | 0.88 | LPAR1 (0.48) | TSHRUSP2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL6121816 | 0.86 | TSHR (0.73) | TSHRUSP2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL6121862 | 0.84 | TSHR (0.58) | TSHRUSP2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL6121660 | 0.83 | TSHR (0.65) | TSHRUSP2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL25143322 | 0.83 | TSHR (0.57) | TSHRUSP2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL6122244 | 0.83 | TSHR (0.65) | TSHRUSP2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL3484433 | 0.82 | TDP1 (0.60) | TSHRUSP2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL6122069 | 0.81 | TSHR (0.63) | TSHRUSP2ALDH1A1HTTSMN1; SMN2 |
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-117980302-A | Piperazine-based agonists of LFA-1 and VLA-4 | 德克萨斯心脏研究所 | 2024-05-03 | — | — | CN | disclosed |
| WO-2023018471-A1 | PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 | TEXAS HEART INSTITUTE (US) | 2023-02-16 | — | — | WO | disclosed |