Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19433698 | 0.87 | CRBN (0.47) | ALDH1A1CA9PTPN2CRBNHTT | |
| SCHEMBL19433627 | 0.80 | CRBN (0.42) | ALDH1A1PTPN2CRBNHTTMAPT | |
| SCHEMBL28526980 | 0.78 | KDM4E (0.50) | GPR35ALDH1A1DAOBCL2L1CA9 | |
| SCHEMBL19433644 | 0.75 | RARB (0.46) | GPR35ALDH1A1DAOBCL2L1PTPN2 | |
| SCHEMBL4830635 | 0.74 | GPR35 (0.50) | GPR35ALDH1A1DAOBCL2L1PTPN2 | |
| SCHEMBL30643033 | 0.72 | GPR35 (0.76) | GPR35ALDH1A1DAOBCL2L1PTPN2 | |
| SCHEMBL16992626 | 0.67 | CA9 (0.42) | ALDH1A1CA9CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1024704 | 0.67 | CRBN (0.43) | ALDH1A1CA9CRBNPOLBCYP19A1 | |
| SCHEMBL28529829 | 0.67 | RARB (0.46) | GPR35ALDH1A1DAOBCL2L1PTPN2 | |
| SCHEMBL1144991 | 0.66 | SMYD3 (0.59) | ALDH1A1CA9CRBNHTTMAPT |
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-107001345-B | Heterocyclic derivatives and use thereof | 株式会社C&C新药研究所 | 2021-03-02 | — | — | CN | disclosed |