Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A9 | P06702 | 4/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | CDK7 | P50613 | 1/20 | 0.45 |
| ▸ | CCNH | P51946 | 1/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.45 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.45 |
| ▸ | CCR4 | P51679 | 7/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SGK1 | O00141 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17472686 | 0.86 | CCR4 (0.47) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL16234953 | 0.83 | ALPL (0.46) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL28053283 | 0.81 | S100A9 (0.42) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL28053284 | 0.80 | TDP1 (0.43) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL16235224 | 0.79 | S100A9 (0.49) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL28163871 | 0.74 | CCR4 (0.54) | CCR4SMN1; SMN2 | |
| SCHEMBL16235330 | 0.72 | TDP1 (0.46) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL16235585 | 0.71 | S100A9 (0.53) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL16235163 | 0.69 | S100A9 (0.51) | S100A9CDK1CCNB1CCNA2CCND1 | |
| SCHEMBL16235327 | 0.68 | TDP1 (0.58) | S100A9CDK1CCNB1CCNA2CCND1 |
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-B | N (heteroaryl) sulfamide derivative as S100 inhibitor | 活跃生物技术有限公司 | 2017-08-04 | — | — | CN | disclosed |