Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 4/20 | 0.44 |
| ▸ | GSR | P00390 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 8/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HCAR3 | P49019 | 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 | |
|---|---|---|---|---|
| SCHEMBL8542821 | 0.99 | TXNRD1 (0.46) | TXNRD1GSRVCAM1THRBESR1 | |
| SCHEMBL8537184 | 0.96 | TXNRD1 (0.39) | TXNRD1GSRVCAM1THRBESR1 | |
| SCHEMBL8538668 | 0.91 | PDK1 (0.36) | TXNRD1GSRVCAM1THRBPDK1 | |
| SCHEMBL8538229 | 0.88 | TXNRD1 (0.44) | TXNRD1GSRVCAM1THRBESR1 | |
| SCHEMBL8544140 | 0.87 | TXNRD1 (0.46) | TXNRD1GSRVCAM1THRBESR1 | |
| SCHEMBL8543433 | 0.84 | TXNRD1 (0.39) | TXNRD1GSRVCAM1THRBGAA | |
| SCHEMBL6938359 | 0.83 | SLC9A1 (0.39) | TXNRD1GSR | |
| SCHEMBL6937477 | 0.82 | TXNRD1 (0.39) | TXNRD1GSRTHRB | |
| SCHEMBL8541278 | 0.80 | THRB (0.44) | THRB | |
| SCHEMBL8544973 | 0.80 | PDK1 (0.37) | VCAM1THRBPDK1MAPT |
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 |