Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.42 |
| ▸ | CA9 | Q16790 | 6/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | HK1 | P19367 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28053355 | 0.80 | KDM4E (0.41) | CA2CA9CA12CA1PTGS1 | |
| SCHEMBL2315314 | 0.68 | PTGS2 (0.66) | CA2CA9CA12CA1PTGS1 | |
| SCHEMBL30540198 | 0.68 | CA2 (0.40) | CA2CA9CA12CA1GAA | |
| SCHEMBL29057759 | 0.68 | CA2 (0.40) | CA2CA9CA12CA1GAA | |
| SCHEMBL24478222 | 0.66 | MAPT (0.67) | CA2CA9CA12CA1PTGS1 | |
| SCHEMBL30823485 | 0.66 | MAPT (0.67) | CA2CA9CA12CA1PTGS1 | |
| SCHEMBL1808957 | 0.66 | PTGS2 (0.69) | CA2CA9CA12CA1PTGS1 | |
| SCHEMBL30269805 | 0.66 | PTGS2 (0.52) | CA2CA9CA12CA1PTGS1 | |
| SCHEMBL11335088 | 0.65 | PTGS2 (0.42) | CA2CA9CA12CA1PTGS1 | |
| SCHEMBL25551994 | 0.65 | KMT2A (0.50) | GAAPDK1 |
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-105377837-B | N (heteroaryl) sulfamide derivative as S100 inhibitor | 活跃生物技术有限公司 | 2017-08-04 | — | — | CN | disclosed |
| CN-105377837-A | N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors | ACTIVE BIOTECH AB | 2016-03-02 | — | — | CN | disclosed |