Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A9 | P06702 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | CCNH | P51946 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.41 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.41 |
| ▸ | CCR4 | P51679 | 5/20 | 0.41 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.39 |
| ▸ | ACLY | P53396 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL16234953 | 0.83 | ALPL (0.46) | S100A9TDP1CDK1CCNB1CCNA2 | |
| SCHEMBL17472686 | 0.81 | CCR4 (0.47) | S100A9TDP1CDK1CCNB1CCNA2 | |
| SCHEMBL28163264 | 0.81 | S100A9 (0.46) | S100A9TDP1CDK1CCNB1CCNA2 | |
| SCHEMBL28053284 | 0.80 | TDP1 (0.43) | S100A9TDP1CDK1CCNB1CCNA2 | |
| SCHEMBL17472715 | 0.79 | PFKFB3 (0.48) | S100A9TDP1CDK1CCNB1CCNA2 | |
| SCHEMBL16235224 | 0.77 | S100A9 (0.49) | S100A9TDP1CDK1CCNB1CCNA2 | |
| SCHEMBL28053281 | 0.77 | CCR4 (0.49) | TDP1CCR4ALDH1A1F2GLA | |
| SCHEMBL16235330 | 0.73 | TDP1 (0.46) | S100A9TDP1CDK1CCNB1CCNA2 | |
| SCHEMBL16235585 | 0.69 | S100A9 (0.53) | S100A9TDP1CDK1CCNB1CCNA2 | |
| SCHEMBL27781103 | 0.69 | ALDH1A1 (0.51) | ALDH1A1F2GLAHPGD |
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-105377837-A | N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors | ACTIVE BIOTECH AB | 2016-03-02 | — | — | CN | disclosed |