Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18758783 | 0.83 | CA12 (0.43) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL7204430 | 0.80 | CA12 (0.41) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL14088913 | 0.79 | CA12 (0.40) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL12498231 | 0.79 | CA12 (0.40) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL31757868 | 0.78 | MEN1 (0.33) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL23765759 | 0.77 | CA12 (0.39) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL9055672 | 0.77 | CA12 (0.34) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL15290576 | 0.77 | CA12 (0.36) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL12567219 | 0.76 | CYP2D6 (0.42) | CYP1A2CYP2C9CYP2C19HTTMGAM | |
| SCHEMBL15312506 | 0.76 | SMN1; SMN2 (0.38) | CA12CA1CA2CA9CYP1A2 |
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-113710667-A | Fused cyclic pyrimidinone derivatives for the treatment of HBV infection or HBV induced diseases | 爱尔兰詹森科学公司 | 2021-11-26 | — | — | CN | disclosed |