Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGB1 | P09429 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7727117 | 0.84 | GABRA1 (0.61) | HMGB1KDM4EHPGDALDH1A1MAPT | |
| SCHEMBL16585595 | 0.84 | HMGB1 (0.53) | HMGB1KDM4EHPGDALDH1A1MAPT | |
| SCHEMBL28593606 | 0.82 | HMGB1 (0.65) | HMGB1KDM4EHPGDALDH1A1HSD17B10 | |
| SCHEMBL27733222 | 0.82 | ERN1 (0.42) | KDM4EHPGDALDH1A1MAPTTSHR | |
| SCHEMBL619877 | 0.81 | ALDH1A1 (0.52) | KDM4EHPGDALDH1A1MAPTTSHR | |
| SCHEMBL698742 | 0.80 | KDM4E (0.61) | KDM4EHPGDALDH1A1MAPTTSHR | |
| SCHEMBL5545298 | 0.80 | PARP1 (0.46) | KDM4EHPGDALDH1A1MAPTTSHR | |
| SCHEMBL2129165 | 0.80 | PARP1 (0.46) | HMGB1KDM4EHPGDALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL27393517 | 0.79 | ALDH1A1 (0.50) | KDM4EHPGDALDH1A1MAPTTSHR | |
| SCHEMBL2896616 | 0.78 | PARP1 (0.44) | KDM4EHPGDALDH1A1MAPTTSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0271059-B1 | 2-Methylthiomethyl-dihydropyridines, a process for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-10-20 | — | — | EP | disclosed |
| US-4971984-A | Cardiovascular disorders, hypotensive agints | BEEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1990-11-20 | — | — | US | disclosed |