Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | SNCA | P37840 | 1/20 | 0.46 |
| ▸ | TSPO | P30536 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25035714 | 0.90 | TSHR (0.57) | ALDH1A1TSHRUSP2HTTSMN1; SMN2 | |
| SCHEMBL29234307 | 0.82 | MEN1 (0.53) | ALDH1A1TSHRUSP2HTTSMN1; SMN2 | |
| SCHEMBL29234164 | 0.79 | LPAR1 (0.48) | ALDH1A1TSHRUSP2HTTSMN1; SMN2 | |
| SCHEMBL6121816 | 0.77 | TSHR (0.73) | ALDH1A1TSHRUSP2HTTSMN1; SMN2 | |
| SCHEMBL18938857 | 0.77 | ALDH1A1 (0.59) | ALDH1A1CYP2A6TSHRSNCATDP1 | |
| SCHEMBL6121862 | 0.76 | TSHR (0.58) | ALDH1A1TSHRUSP2HTTSMN1; SMN2 | |
| SCHEMBL9607336 | 0.75 | ALDH1A1 (0.79) | ALDH1A1CYP2A6TSHRSMN1; SMN2TDP1 | |
| SCHEMBL6122244 | 0.74 | TSHR (0.65) | ALDH1A1TSHRUSP2HTTSMN1; SMN2 | |
| SCHEMBL6121660 | 0.74 | TSHR (0.65) | ALDH1A1TSHRUSP2HTTSMN1; SMN2 | |
| SCHEMBL25143322 | 0.74 | TSHR (0.57) | ALDH1A1TSHRUSP2HTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023018471-A9 | PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 | TEXAS HEART INSTITUTE (US) | 2023-07-13 | — | — | WO | disclosed |