Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.37 |
| ▸ | GPBAR1 | Q8TDU6 | 5/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.36 |
| ▸ | S100A9 | P06702 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28053334 | 0.74 | IKBKB (0.35) | PTGS2PTGS1CA1CA2BRD4 | |
| SCHEMBL28053243 | 0.74 | APLNR (0.47) | PTGS2MAP4K4PIK3CAKCNH2MINK1 | |
| SCHEMBL28053340 | 0.73 | PTGS1 (0.42) | PTGS2PIK3CAGPBAR1PTGS1S100A9 | |
| SCHEMBL28826183 | 0.72 | APLNR (0.40) | PTGS2GPBAR1PTGS1S100A9CA1 | |
| SCHEMBL16235432 | 0.71 | S100A9 (0.60) | PIK3CAS100A9 | |
| SCHEMBL2169084 | 0.68 | TRPV4 (0.52) | PTGS2MAP4K4PIK3CAKCNH2MINK1 | |
| SCHEMBL30845950 | 0.68 | TRPV4 (0.52) | PTGS2MAP4K4PIK3CAKCNH2MINK1 | |
| Hydrochloric Acid SCHEMBL29970288 | 0.66 | TRPV4 (0.50) | PTGS2MAP4K4PIK3CAKCNH2MINK1 | |
| SCHEMBL8776191 | 0.64 | CA2 (0.43) | PTGS2PTGS1CA1CA2 | |
| SCHEMBL14832917 | 0.63 | GPBAR1 (0.51) | GPBAR1 |
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 4 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 | claimed |
| CN-105377837-A | N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors | ACTIVE BIOTECH AB | 2016-03-02 | — | — | CN | claimed |
| 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 |