Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | FDPS | P14324 | 1/20 | 0.51 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.51 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9136277 | 0.87 | TAAR1 (0.66) | OPRM1OPRD1OPRK1GAA | |
| SCHEMBL3824789 | 0.84 | SIGMAR1 (0.55) | CA2CA1CA12CA4SIGMAR1 | |
| SCHEMBL5020719 | 0.83 | MAOB (0.55) | CA2ALDH1A1GAAHPGD | |
| SCHEMBL5020711 | 0.83 | CA2 (0.55) | CA2GAAHPGD | |
| SCHEMBL25676 | 0.82 | CES1 (0.64) | CA2ALDH1A1 | |
| SCHEMBL18798798 | 0.81 | MAPT (0.58) | CA2GAAHPGD | |
| SCHEMBL4344215 | 0.81 | TAAR1 (0.54) | CA2CA1CA12CA4SIGMAR1 | |
| SCHEMBL379647 | 0.81 | SIGMAR1 (0.65) | SIGMAR1OPRK1 | |
| Hydrochloric Acid SCHEMBL1621316 | 0.80 | CES1 (0.61) | CA2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL3651517 | 0.80 | CES1 (0.61) | CA2ALDH1A1 |
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-105541750-B | A kind of preparation method of Mirabegron analysis of control product | 湖南方盛制药股份有限公司 | 2018-01-05 | — | — | CN | disclosed |