Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.38 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16982392 | 1.00 | ADRA1A (0.41) | ADRA1AHDAC1HDAC2TDP1CHRM1 | |
| SCHEMBL1335604 | 0.85 | ADRA1A (0.48) | ADRA1AHDAC1HDAC2TDP1CHRM1 | |
| SCHEMBL967149 | 0.85 | ADRA1A (0.48) | ADRA1AHDAC1HDAC2TDP1CHRM1 | |
| SCHEMBL541816 | 0.84 | GPR84 (0.58) | TDP1GPR84SLC22A6TSHRALDH1A1 | |
| SCHEMBL11294180 | 0.83 | ADRA1A (0.46) | ADRA1AHDAC1HDAC2TDP1CHRM1 | |
| SCHEMBL28248434 | 0.82 | TSHR (0.39) | ADRA1AHDAC1HDAC2TDP1CHRM1 | |
| SCHEMBL18271781 | 0.82 | TSHR (0.39) | ADRA1AHDAC1HDAC2TDP1CHRM1 | |
| SCHEMBL940383 | 0.81 | ADRA1A (0.44) | ADRA1AHDAC1HDAC2TDP1CHRM1 | |
| SCHEMBL1132059 | 0.81 | — | — | |
| SCHEMBL28015092 | 0.81 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108689903-A | A kind of new preparation method of Bu Waxitan | 北京艾百诺医药股份有限公司 | 2018-10-23 | — | — | CN | claimed |
| CN-108947908-A | The Bu Waxitan new intermediate and its synthetic method of tool imidazole ring and application | 丽珠集团新北江制药股份有限公司 | 2018-12-07 | — | — | CN | disclosed |
| CN-108689903-A | A kind of new preparation method of Bu Waxitan | 北京艾百诺医药股份有限公司 | 2018-10-23 | — | — | CN | disclosed |