Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GFER | P55789 | 2/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 2/20 | 0.36 |
| ▸ | CASP7 | P55210 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8913172 | 0.88 | SIGMAR1 (0.47) | GFERCASP6HSD17B10CASP1CASP7 | |
| SCHEMBL22770382 | 0.88 | ALDH1A1 (0.36) | HSD17B10CASP1CASP7ALDH1A1KDM4E | |
| SCHEMBL29993019 | 0.83 | NR1H2 (0.53) | ALDH1A1MAPK1NR1H2 | |
| SCHEMBL22770482 | 0.83 | NR1H2 (0.53) | ALDH1A1MAPK1NR1H2 | |
| SCHEMBL8916017 | 0.81 | HTR2A (0.52) | GFERUSP2HSD17B10ALDH1A1CYP2C19 | |
| SCHEMBL8913519 | 0.80 | ALDH1A1 (0.45) | ALDH1A1HPGDBAZ2BGAAKMT2A | |
| SCHEMBL8914677 | 0.79 | SMN1; SMN2 (0.44) | ALDH1A1GAASMN1; SMN2 | |
| SCHEMBL31288591 | 0.73 | OTUD7B (0.42) | ALDH1A1CYP2C19CYP3A4KDM4EHPGD | |
| SCHEMBL20511922 | 0.72 | CA1 (0.36) | ALDH1A1CYP2C19CYP2C9KMT2ASMN1; SMN2 | |
| SCHEMBL22770466 | 0.70 | OTUD7B (0.40) | — |
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-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |