Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 2/20 | 0.33 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28666508 | 1.00 | IDO1 (0.34) | IDO1ABCB1ITGA4ITGB7PDCD1 | |
| SCHEMBL5839363 | 0.89 | GPR3 (0.37) | KMT2AGPR3POLBGAA | |
| SCHEMBL8398612 | 0.88 | CYP1A2 (0.39) | IDO1ABCB1ITGA4ITGB7MALT1 | |
| SCHEMBL15106318 | 0.88 | CYP1A2 (0.39) | IDO1ABCB1ITGA4ITGB7MALT1 | |
| SCHEMBL21195168 | 0.86 | KMT2A (0.35) | IDO1ABCB1ITGA4ITGB7MALT1 | |
| SCHEMBL7338794 | 0.85 | ITGA4 (0.39) | ITGA4ITGB7KMT2A | |
| SCHEMBL5997583 | 0.83 | KIF11 (0.41) | — | |
| SCHEMBL7107498 | 0.81 | PTPRC (0.36) | IDO1PTPRCMALT1KMT2APOLB | |
| SCHEMBL28669006 | 0.81 | ABCB1 (0.36) | IDO1ABCB1ITGA4ITGB7PTPRC | |
| SCHEMBL28669009 | 0.81 | ABCB1 (0.36) | IDO1ABCB1ITGA4ITGB7PTPRC |
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 |