Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | GCK | P35557 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28053340 | 0.80 | PTGS1 (0.42) | CA1CA2PTGES2SCN9ABRD4 | |
| SCHEMBL28053341 | 0.77 | PKM (0.49) | CA1CA2ALDH1A1PKMCA12 | |
| SCHEMBL28826183 | 0.77 | APLNR (0.40) | CA1CA2PTGES2BRD4CA12 | |
| SCHEMBL28053271 | 0.74 | PTGS2 (0.37) | CA1CA2ALDH1A1BRD4APLNR | |
| SCHEMBL16235251 | 0.70 | S100A9 (0.58) | LRRK2ALDH1A1PTGES2LMNAMAPK1 | |
| SCHEMBL28053239 | 0.65 | APLNR (0.38) | CA1CA2ALDH1A1BRD4CA12 | |
| SCHEMBL28053335 | 0.65 | CA2 (0.42) | IKBKBCA1CA2PKMCA12 | |
| SCHEMBL1700491 | 0.64 | CA2 (0.39) | CA1CA2ALDH1A1PTGES2CA12 | |
| SCHEMBL15211939 | 0.64 | PTGES2 (0.45) | CA1CA2PTGES2SCN9ACA12 | |
| SCHEMBL11335088 | 0.64 | PTGS2 (0.42) | CA1CA2PKMCA12CA9 |
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-A | N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors | ACTIVE BIOTECH AB | 2016-03-02 | — | — | CN | claimed |
| CN-105377837-A | N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors | ACTIVE BIOTECH AB | 2016-03-02 | — | — | CN | disclosed |