Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ICMT | O60725 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8915526 | 0.81 | GAA (0.40) | KDM4EALDH1A1HSD17B10 | |
| SCHEMBL7245085 | 0.80 | CA2 (0.36) | ICMTCA2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL8772012 | 0.77 | AR (0.40) | ALDH1A1 | |
| SCHEMBL12984831 | 0.72 | CES2 (0.40) | ICMTCA2 | |
| SCHEMBL8772056 | 0.71 | P2RX7 (0.45) | — | |
| SCHEMBL6390159 | 0.70 | MAPK8 (0.49) | CA2KDM4E | |
| SCHEMBL8913345 | 0.70 | ADRA1B (0.35) | CA2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28042671 | 0.68 | ALDH1A1 (0.35) | KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9747729 | 0.68 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL7871395 | 0.68 | ALDH1A1 (0.36) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5686492-A | NMR DIAGNOSTIC AGENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-11-11 | — | — | US | disclosed |
| EP-0799197-A1 | DISUBSTITUTED P-FLUOROBENZOLSULFONAMIDES AND THEIR USE IN NMR DIAGNOSTICS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996019447-A1 | DISUBSTITUTED P-FLUOROBENZOLSULFONAMIDES AND THEIR USE IN NMR DIAGNOSTICS | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-06-27 | — | — | WO | disclosed |