Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.41 |
| ▸ | FYN | P06241 | 12/20 | 0.39 |
| ▸ | ABL1 | P00519 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | ABL2 | P42684 | 1/20 | 0.37 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.36 |
| ▸ | XPO1 | O14980 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4900921 | 0.80 | HSD17B1 (0.43) | HSD17B1HSD17B2FYNABL1EGFR | |
| SCHEMBL21311049 | 0.69 | KDM1A (0.48) | HSD17B1HSD17B2FYN | |
| SCHEMBL30133185 | 0.69 | HSD17B1 (0.56) | HSD17B1HSD17B2FYN | |
| SCHEMBL5209449 | 0.68 | FAAH (0.43) | ADORA2A | |
| SCHEMBL29214457 | 0.66 | HSD17B1 (0.47) | HSD17B1HSD17B2 | |
| SCHEMBL3920471 | 0.66 | NPC1 (0.42) | FYN | |
| SCHEMBL6392035 | 0.66 | CYP3A4 (0.62) | — | |
| SCHEMBL27647927 | 0.65 | GPR119 (0.49) | — | |
| SCHEMBL27582587 | 0.65 | FAAH (0.43) | ADORA2A | |
| SCHEMBL21228271 | 0.64 | CA12 (0.54) | HSD17B1HSD17B2EGFR |
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-1943227-A1 | NOVEL BETA-AGONISTS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | Boehringer Ingelheim International GmbH (DE) | 2008-07-16 | — | — | EP | disclosed |
| WO-2007048840-A1 | NOVEL BETA-AGONISTS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-05-03 | — | — | WO | disclosed |