Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.30 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.30 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.30 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.30 |
| ▸ | PSENEN | Q9NZ42 | 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 | |
|---|---|---|---|---|
| SCHEMBL22206862 | 0.77 | ADRA2A (0.44) | ADRB2CYP3A4HSD17B10ADRA2AADRA2B | |
| SCHEMBL30446707 | 0.77 | ADRA2A (0.44) | ADRB2CYP3A4HSD17B10ADRA2AADRA2B | |
| SCHEMBL28982438 | 0.73 | CES2 (0.38) | CYP3A4PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL28257823 | 0.69 | — | — | |
| SCHEMBL27926241 | 0.69 | — | — | |
| SCHEMBL22206886 | 0.68 | PSEN1 (0.34) | ADRB2CYP3A4HSD17B10ADRA2AADRA2B | |
| SCHEMBL30446705 | 0.68 | PSEN1 (0.34) | ADRB2CYP3A4HSD17B10ADRA2AADRA2B | |
| SCHEMBL30446756 | 0.67 | ADRA2A (0.39) | ADRB2CYP3A4HSD17B10ADRA2AADRA2B | |
| SCHEMBL28431063 | 0.67 | ADRA2A (0.39) | ADRB2CYP3A4HSD17B10ADRA2AADRA2B | |
| SCHEMBL23213252 | 0.67 | ADRA2A (0.38) | ADRB2CYP3A4HSD17B10ADRA2AADRA2B |
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-2011102640-A2 | METHOD FOR PREPARING SITAGLIPTIN AND AMINE SALT INTERMEDIATES USED THEREIN | HANMI HOLDINGS CO., LTD. (KR) | 2011-08-25 | — | — | WO | disclosed |