Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PPID | Q08752 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | PPIB | P23284 | 1/20 | 0.33 |
| ▸ | PPIA | P62937 | 1/20 | 0.33 |
| ▸ | PPIG | Q13427 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7535733 | 0.90 | — | — | |
| SCHEMBL7531638 | 0.88 | BIRC2 (0.35) | — | |
| SCHEMBL7526952 | 0.88 | ALDH1A1 (0.33) | ALDH1A1HPGDCTSKSMN1; SMN2MEN1 | |
| SCHEMBL7529403 | 0.85 | NLRP3 (0.32) | — | |
| SCHEMBL7527903 | 0.85 | PTPRC (0.31) | CTSK | |
| SCHEMBL7535461 | 0.83 | ALDH1A1 (0.38) | ALDH1A1LMNAMAPT | |
| SCHEMBL7529087 | 0.79 | GAA (0.41) | GAAALDH1A1TSHRPPIDNPC1 | |
| SCHEMBL15412894 | 0.79 | BIRC2 (0.33) | TSHR | |
| SCHEMBL19002186 | 0.75 | — | — | |
| SCHEMBL9474805 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002016405-A1 | S-NITROSOTHIOLS AND THEIR USE AS MEDICAMENTS FOR CARDIOVASCULAR DISEASES | KING'S COLLEGE LONDON (GB) | 2002-02-28 | — | — | WO | claimed |
| WO-2002016405-A1 | S-NITROSOTHIOLS AND THEIR USE AS MEDICAMENTS FOR CARDIOVASCULAR DISEASES | KING'S COLLEGE LONDON (GB) | 2002-02-28 | — | — | WO | disclosed |