Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 7/20 | 0.40 |
| ▸ | CA1 | P00915 | 7/20 | 0.40 |
| ▸ | CA2 | P00918 | 7/20 | 0.40 |
| ▸ | CA9 | Q16790 | 7/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8842585 | 1.00 | HSD17B10 (0.41) | HSD17B10CYP2D6THRBTSHRNR3C1 | |
| SCHEMBL8842553 | 1.00 | HSD17B10 (0.41) | HSD17B10CYP2D6THRBTSHRNR3C1 | |
| SCHEMBL8842487 | 1.00 | HSD17B10 (0.41) | HSD17B10CYP2D6THRBTSHRNR3C1 | |
| SCHEMBL8842589 | 1.00 | HSD17B10 (0.41) | HSD17B10CYP2D6THRBTSHRNR3C1 | |
| SCHEMBL8438715 | 1.00 | HSD17B10 (0.41) | HSD17B10CYP2D6THRBTSHRNR3C1 | |
| SCHEMBL8439937 | 0.91 | HSD17B10 (0.46) | HSD17B10CYP2D6THRBTSHRNR3C1 | |
| SCHEMBL8842413 | 0.91 | HSD17B10 (0.46) | HSD17B10CYP2D6THRBTSHRNR3C1 | |
| SCHEMBL8439940 | 0.91 | HSD17B10 (0.46) | HSD17B10CYP2D6THRBTSHRNR3C1 | |
| SCHEMBL11178984 | 0.86 | PYGB (0.45) | HSD17B10CYP2D6THRBALDH1A1 | |
| SCHEMBL3903834 | 0.83 | CYP2D6 (0.43) | HSD17B10CYP2D6THRBTSHRNR3C1 |
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-5596005-A | GLYCOSIDASE INHIBITORS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1997-01-21 | — | — | US | disclosed |
| US-5276120-A | Reductively cyclizing an azido-substituted alpha-ketose phosphate; palladium catalyzed | THE SCRIPPS RESEARCH INSTITUTE (US) | 1994-01-04 | — | — | US | disclosed |
| WO-1992021657-A1 | OMEGA-DEOXY-AZASUGARS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1992-12-10 | — | — | WO | disclosed |