Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | PTPRC | P08575 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.31 |
| ▸ | KLK5 | Q9Y337 | 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 | |
|---|---|---|---|---|
| SCHEMBL28669009 | 1.00 | ABCB1 (0.36) | ABCB1KMT2AGPR3POLBGAA | |
| SCHEMBL28666508 | 0.81 | IDO1 (0.34) | ABCB1KMT2AGPR3POLBGAA | |
| SCHEMBL28666510 | 0.81 | IDO1 (0.34) | ABCB1KMT2AGPR3POLBGAA | |
| SCHEMBL20299863 | 0.80 | IDO1 (0.40) | IDO1 | |
| SCHEMBL8398612 | 0.79 | CYP1A2 (0.39) | ABCB1KMT2AITGA4ITGB7IDO1 | |
| SCHEMBL15106318 | 0.79 | CYP1A2 (0.39) | ABCB1KMT2AITGA4ITGB7IDO1 | |
| SCHEMBL4343962 | 0.79 | KEAP1 (0.35) | KMT2AGPR3POLBGAACYP1A2 | |
| SCHEMBL19580400 | 0.79 | KEAP1 (0.35) | KMT2AGPR3POLBGAACYP1A2 | |
| SCHEMBL21195168 | 0.77 | KMT2A (0.35) | ABCB1KMT2AITGA4ITGB7IDO1 | |
| SCHEMBL25183055 | 0.77 | GPR3 (0.38) | KMT2AGPR3POLBGAACYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113713092-A | Application of chemokine receptor CCR6 in preparation of antitumor drugs | 齐鲁工业大学 | 2021-11-30 | — | — | CN | claimed |
| CN-113713092-A | Application of chemokine receptor CCR6 in preparation of antitumor drugs | 齐鲁工业大学 | 2021-11-30 | — | — | CN | disclosed |