Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 18/20 | 0.78 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.62 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL11744855 | 0.87 | ADRB2 (1.00) | ADRB2ADRB1ADRA1DCYP1A2CYP2D6 | |
| SCHEMBL7723769 | 0.87 | ADRB2 (1.00) | ADRB2ADRB1ADRA1DCYP1A2CYP2D6 | |
| SCHEMBL7724542 | 0.87 | ADRB2 (1.00) | ADRB2ADRB1ADRA1DCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL11670656 | 0.85 | ADRB2 (0.97) | ADRB2ADRB1ADRA1DCYP1A2CYP2D6 | |
| SCHEMBL14220132 | 0.85 | ADRB2 (0.78) | ADRB2ADRB1ADRA1DCYP1A2CYP2D6 | |
| SCHEMBL13662070 | 0.83 | ADRB2 (0.84) | ADRB2ADRB1ADRA1DCYP1A2CYP2D6 | |
| SCHEMBL15677514 | 0.82 | ADRB2 (0.73) | ADRB2ADRB1ADRA1DCYP1A2CYP2D6 | |
| SCHEMBL13902861 | 0.81 | ADRB2 (0.87) | ADRB2ADRB1ADRA1DCYP1A2CYP2D6 | |
| SCHEMBL2054491 | 0.81 | ADRB2 (0.87) | ADRB2ADRB1ADRA1DCYP1A2CYP2D6 | |
| SCHEMBL13902986 | 0.81 | ADRB2 (0.87) | ADRB2ADRB1ADRA1DCYP1A2CYP2D6 |
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-106255689-A | Heteroaryl syk inhibitors | 勃林格殷格翰国际有限公司 | 2016-12-21 | — | — | CN | disclosed |