Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.56 |
| ▸ | THPO | P40225 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL896520 | 0.83 | ALDH1A1 (0.61) | ALDH1A1CYP3A4SMN1; SMN2HIF1ALMNA | |
| SCHEMBL9840917 | 0.82 | ALDH1A1 (0.52) | ALDH1A1CYP3A4SMN1; SMN2HIF1ALMNA | |
| SCHEMBL7249091 | 0.78 | ALDH1A1 (0.71) | ALDH1A1CYP3A4LMNAMAPTKMT2A | |
| SCHEMBL11089785 | 0.76 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HIF1ALMNANFKB1 | |
| SCHEMBL10442604 | 0.74 | EGFR (0.56) | ALDH1A1CYP3A4SMN1; SMN2HIF1ALMNA | |
| SCHEMBL8724096 | 0.74 | ALDH1A1 (0.50) | ALDH1A1CYP3A4SMN1; SMN2HIF1ALMNA | |
| Melphalan SCHEMBL4697634 | 0.72 | HIF1A (0.94) | ALDH1A1CYP3A4SMN1; SMN2HIF1ALMNA | |
| Sarcolysin SCHEMBL28338888 | 0.72 | HIF1A (0.94) | ALDH1A1CYP3A4SMN1; SMN2HIF1ALMNA | |
| SCHEMBL9417616 | 0.72 | CYP3A4 (0.50) | ALDH1A1CYP3A4SMN1; SMN2HIF1ALMNA | |
| SCHEMBL347463 | 0.72 | ALDH1A1 (0.61) | ALDH1A1LMNAMAPTKMT2ATDP1 |
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-2004024755-A2 | SARCOLYSYL DERIVATIVES AND METHOD FOR THE PRODUCTION THEREOF | LIPAL BIOCHEMICALS AG (CH) | 2004-03-25 | — | — | WO | disclosed |