Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | VCAM1 | P19320 | 6/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8542407 | 0.90 | PDK1 (0.38) | PDK1VCAM1ALOX15ALOX12ALDH1A1 | |
| SCHEMBL8541696 | 0.88 | PDGFRB (0.34) | PDK1VCAM1ALDH1A1GAAHPGD | |
| SCHEMBL8540482 | 0.88 | PDK1 (0.39) | PDK1VCAM1ALOX15ALOX12ALDH1A1 | |
| SCHEMBL27358004 | 0.84 | PDK1 (0.39) | PDK1VCAM1ALOX15ALOX12ALDH1A1 | |
| SCHEMBL6934380 | 0.83 | SLC9A1 (0.38) | — | |
| SCHEMBL8541274 | 0.81 | SLC9A1 (0.31) | — | |
| SCHEMBL8538668 | 0.80 | PDK1 (0.36) | PDK1VCAM1ALDH1A1 | |
| SCHEMBL8544973 | 0.79 | PDK1 (0.37) | PDK1VCAM1ALDH1A1HPGDCYP3A4 | |
| SCHEMBL8544879 | 0.78 | ALDH1A1 (0.37) | PDK1VCAM1ALDH1A1GAAHPGD | |
| SCHEMBL8537184 | 0.78 | TXNRD1 (0.39) | PDK1VCAM1ALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1071743-C | Sulfuryl or sulfinyl benzoyl guanidine derivative | MERCK PATENT GMBH (DE) | 2001-09-26 | — | — | CN | disclosed |
| US-5744641-A | Sulfonyl- or sulfinylbenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-04-28 | — | — | US | disclosed |
| CN-1148590-A | Sulfuryl or sulfinyl benzoyl guanidine derivative | MERCK PATENT GMBH (DE) | 1997-04-30 | — | — | CN | disclosed |