Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL21395529 | 0.76 | ERN1 (0.39) | ERN1DYRK1AHTT | |
| SCHEMBL19782753 | 0.73 | HSD17B10 (0.42) | ESR1ESR2NSD1DYRK1AGAA | |
| SCHEMBL19782540 | 0.73 | ALDH1A1 (0.42) | HSD17B1NSD1GAAHTT | |
| SCHEMBL30189617 | 0.73 | ALDH1A1 (0.42) | HSD17B1NSD1GAAHTT | |
| SCHEMBL20305619 | 0.69 | ALOX5 (0.46) | DYRK1AGAAHTT | |
| SCHEMBL19782536 | 0.68 | NSD1 (0.33) | ESR1ESR2NSD1 | |
| SCHEMBL2274086 | 0.66 | RAB9A (0.39) | GAAHTT | |
| SCHEMBL25612184 | 0.64 | ERN1 (0.43) | ERN1ESR1ESR2 | |
| SCHEMBL1360479 | 0.64 | HTT (0.63) | HSD17B1DYRK1AGAAHTTL3MBTL1 | |
| SCHEMBL21379622 | 0.64 | APP (0.37) | DYRK1AGAAHTTCA2 |
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-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |