Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.34 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 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 | |
|---|---|---|---|---|
| SCHEMBL8542407 | 0.90 | PDK1 (0.38) | PDK1ALOX15ALOX12VCAM1ALDH1A1 | |
| SCHEMBL27358004 | 0.88 | PDK1 (0.39) | PDK1ALOX15ALOX12VCAM1ALDH1A1 | |
| SCHEMBL8539432 | 0.88 | PDK1 (0.36) | PDK1ALOX15ALOX12VCAM1ALDH1A1 | |
| SCHEMBL8540078 | 0.84 | VCAM1 (0.37) | PDK1VCAM1TXNRD1ALDH1A1MAPT | |
| SCHEMBL8544973 | 0.83 | PDK1 (0.37) | PDK1VCAM1ALDH1A1HPGDMAPT | |
| SCHEMBL6937273 | 0.82 | SLC9A1 (0.41) | — | |
| SCHEMBL8538668 | 0.82 | PDK1 (0.36) | PDK1VCAM1TXNRD1ALDH1A1POLB | |
| SCHEMBL8537184 | 0.80 | TXNRD1 (0.39) | PDK1VCAM1TXNRD1ALDH1A1GAA | |
| SCHEMBL8542635 | 0.80 | TXNRD1 (0.36) | PDK1VCAM1TXNRD1ALDH1A1MAPT | |
| SCHEMBL8540569 | 0.79 | GAA (0.34) | ALDH1A1GAA |
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 |