Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TTR | P02766 | 2/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL374725 | 0.82 | CYP3A4 (0.58) | CYP3A4TSHRTDP1CA1CA2 | |
| SCHEMBL1155741 | 0.75 | ERN1 (0.46) | CYP3A4TSHRTDP1CA1CA2 | |
| SCHEMBL4962657 | 0.75 | CA6 (0.44) | CYP3A4TSHRTDP1CA1CA2 | |
| SCHEMBL6657250 | 0.75 | CYP3A4 (0.65) | CYP3A4TSHRTDP1CA1CA2 | |
| SCHEMBL1521925 | 0.75 | ERN1 (0.46) | CA1CA6CA12CA9ERN1 | |
| SCHEMBL8773815 | 0.71 | PTGS2 (0.47) | CYP3A4TSHRTDP1CA1CA2 | |
| SCHEMBL14151513 | 0.71 | ERN1 (0.50) | CYP3A4TSHRTDP1CA1CA2 | |
| SCHEMBL1684148 | 0.71 | IDO1 (0.43) | CYP3A4TSHRCA1CA12CA9 | |
| SCHEMBL103239 | 0.71 | CYP3A4 (0.40) | CYP3A4TSHRTDP1CA1CA2 | |
| SCHEMBL20819667 | 0.71 | CHEK1 (0.50) | CYP3A4TSHRTDP1CA1CA2 |
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-110913858-A | Kinase inhibitors and uses thereof | 戴纳立制药公司 | 2020-03-24 | — | — | CN | disclosed |