Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 7/20 | 0.55 |
| ▸ | HTR7 | P34969 | 1/20 | 0.53 |
| ▸ | THRA | P10827 | 3/20 | 0.51 |
| ▸ | THRB | P10828 | 3/20 | 0.51 |
| ▸ | STS | P08842 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31073614 | 0.86 | HSD17B3 (0.60) | HSD17B3HTR7THRATHRBSTS | |
| SCHEMBL31073608 | 0.86 | HSD17B3 (0.60) | HSD17B3HTR7THRATHRBSTS | |
| SCHEMBL17679992 | 0.81 | HSD17B3 (0.54) | HSD17B3HTR7THRATHRBSTS | |
| SCHEMBL13085794 | 0.78 | HSD17B3 (0.85) | HSD17B3HTR7THRATHRBSTS | |
| SCHEMBL13085847 | 0.78 | HSD17B3 (0.85) | HSD17B3HTR7THRATHRBSTS | |
| SCHEMBL2420242 | 0.78 | THRA (0.60) | HSD17B3HTR7THRATHRBRAB9A | |
| SCHEMBL9440214 | 0.77 | HTR7 (0.86) | HSD17B3HTR7THRATHRBSTS | |
| SCHEMBL25515752 | 0.77 | HTR7 (0.86) | HSD17B3HTR7THRATHRBSTS | |
| SCHEMBL16422179 | 0.77 | HSD17B3 (0.71) | HSD17B3HTR7THRATHRBSTS | |
| SCHEMBL5457646 | 0.76 | HTR7 (0.62) | HSD17B3HTR7THRATHRBSTS |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016055947-A1 | ALKYNE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-04-14 | — | — | WO | disclosed |