Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8541696 | 0.90 | PDGFRB (0.34) | ALDH1A1HPGDGAAPDGFRBFGFR1 | |
| SCHEMBL8538227 | 0.89 | PDGFRB (0.36) | ALDH1A1HPGDGAAHCAR3PDGFRB | |
| SCHEMBL8542407 | 0.88 | PDK1 (0.38) | ALDH1A1HPGDGAAHCAR3PDK1 | |
| SCHEMBL8540078 | 0.87 | VCAM1 (0.37) | ALDH1A1PDGFRBFGFR1PDGFRAFLT1 | |
| SCHEMBL8537979 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HPGDGAAPDGFRBFGFR1 | |
| SCHEMBL6935187 | 0.82 | SLC9A1 (0.53) | — | |
| SCHEMBL8538210 | 0.80 | SLC9A1 (0.44) | — | |
| SCHEMBL8538826 | 0.80 | VCAM1 (0.49) | PDGFRBFGFR1PDGFRAFLT1FGFR3 | |
| SCHEMBL8543074 | 0.80 | ALDH1A1 (0.38) | ALDH1A1HPGDGAAPDGFRBFGFR1 | |
| SCHEMBL8539432 | 0.78 | PDK1 (0.36) | ALDH1A1HPGDGAAPDK1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-5744641-A | Sulfonyl- or sulfinylbenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-04-28 | — | — | US | disclosed |