Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | FABP7 | O15540 | 1/20 | 0.31 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.31 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.30 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.30 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.30 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14938874 | 0.81 | TDP1 (0.38) | — | |
| SCHEMBL29420183 | 0.76 | GABRA1 (0.34) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL17934775 | 0.76 | ALDH1A1 (0.40) | PTPN1ABCG2CA12CA1CA2 | |
| SCHEMBL16755617 | 0.74 | TDP1 (0.43) | — | |
| SCHEMBL29420182 | 0.73 | MTNR1A (0.38) | ABCG2IDO1KDREGFR | |
| SCHEMBL4570406 | 0.70 | ALDH1A1 (0.39) | PTPN1ABCG2CA12CA1CA2 | |
| SCHEMBL171338 | 0.70 | ALDH1A1 (0.48) | PTPN1CA12CA1CA2CA9 | |
| SCHEMBL24784695 | 0.69 | TSHR (0.43) | IDO1 | |
| SCHEMBL17934761 | 0.68 | ABCG2 (0.36) | PTPN1ABCG2CA12CA1CA2 | |
| SCHEMBL17934765 | 0.68 | SIGMAR1 (0.39) | ABCG2CA12CA1CA2CA9 |
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-114163475-A | Catalyst system containing pyrrole-based rigid structure multi-site ligand, preparation method and application | 浙江智英石化技术有限公司 | 2022-03-11 | — | — | CN | disclosed |