Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8583685 | 0.95 | ALDH1A1 (0.42) | PDK2PDK4HSD17B10ALDH1A1HPGD | |
| SCHEMBL8581200 | 0.95 | ALOX5AP (0.37) | PDK2PDK4HSD17B10ALDH1A1HPGD | |
| SCHEMBL8580134 | 0.93 | YAP1 (0.39) | HSD17B10ALDH1A1HPGDTSHRHCRTR2 | |
| SCHEMBL30845562 | 0.88 | PDK2 (0.38) | PDK2PDK4HSD17B10ALDH1A1HPGD | |
| SCHEMBL8581646 | 0.84 | PDK2 (0.42) | PDK2PDK4HSD17B10ALDH1A1TSHR | |
| SCHEMBL8583575 | 0.83 | PDK2 (0.39) | PDK2PDK4HSD17B10ALDH1A1HPGD | |
| SCHEMBL8582528 | 0.83 | PDK2 (0.39) | PDK2PDK4HSD17B10ALDH1A1HPGD | |
| SCHEMBL8583345 | 0.82 | ALDH1A1 (0.36) | HSD17B10ALDH1A1HPGDTSHRKDM4E | |
| SCHEMBL8581394 | 0.81 | PDK2 (0.37) | PDK2PDK4HSD17B10ALDH1A1HPGD | |
| SCHEMBL8582193 | 0.80 | KDM4E (0.39) | PDK2PDK4HSD17B10ALDH1A1HPGD |
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-5840761-A | Alkylbenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-11-24 | — | — | US | disclosed |