Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 3/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.52 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | BLM | P54132 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | APEX1 | P27695 | 2/20 | 0.50 |
| ▸ | RAD52 | P43351 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28171464 | 1.00 | ADRA1A (0.52) | ADRA1AADRA2AADRA2BADRA2CADRB2 | |
| SCHEMBL28171465 | 1.00 | ADRA1A (0.52) | ADRA1AADRA2AADRA2BADRA2CADRB2 | |
| SCHEMBL6953414 | 0.85 | HSD17B10 (0.38) | ADRA1AADRA2AADRA2BADRA2CADRB2 | |
| SCHEMBL29653910 | 0.83 | CES2 (0.39) | BLML3MBTL1CES2CES1LMNA | |
| SCHEMBL5085545 | 0.83 | CES2 (0.39) | BLML3MBTL1CES2CES1LMNA | |
| SCHEMBL5085546 | 0.83 | CES2 (0.39) | BLML3MBTL1CES2CES1LMNA | |
| SCHEMBL11233821 | 0.76 | CES2 (0.46) | ADRA2AADRA2BADRA2CCYP3A4CES2 | |
| SCHEMBL11233818 | 0.76 | CES2 (0.46) | ADRA2AADRA2BADRA2CCYP3A4CES2 | |
| SCHEMBL10595878 | 0.75 | KDM6B (0.39) | ADRA1ACYP3A4HSD17B10BLMNPSR1 | |
| SCHEMBL10595884 | 0.75 | KDM6B (0.39) | ADRA1ACYP3A4HSD17B10BLMNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105732412-B | It is a kind of to be used to treat amides compound of apoplexy and preparation method thereof | 陕西中医药大学 | 2017-07-28 | — | — | CN | disclosed |