Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18659000 | 1.00 | HSP90AB1 (0.42) | HSP90AB1KDM4EALDH1A1USP2GAA | |
| SCHEMBL26690245 | 0.84 | MEN1 (0.44) | KDM4EALDH1A1GAAMAPK1LMNA | |
| SCHEMBL28955945 | 0.81 | ALDH1A1 (0.41) | HSP90AB1KDM4EALDH1A1USP2GAA | |
| SCHEMBL26046036 | 0.79 | L3MBTL1 (0.35) | ALDH1A1MAPK1MAPTTDP1ALOX15 | |
| SCHEMBL3717404 | 0.79 | GABRR1 (0.43) | KDM4EALDH1A1GAAMAPK1LMNA | |
| SCHEMBL1821390 | 0.78 | KMT2A (0.42) | HSP90AB1KDM4EALDH1A1USP2GAA | |
| SCHEMBL26137433 | 0.75 | CYP1A2 (0.41) | ALDH1A1MAPK1TDP1ALOX15HSD17B10 | |
| SCHEMBL12002395 | 0.74 | KMO (0.50) | KDM4EALDH1A1GAALMNAKMT2A | |
| SCHEMBL16202049 | 0.74 | POLB (0.48) | KDM4EALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL5823701 | 0.74 | KDM4E (0.50) | HSP90AB1KDM4EALDH1A1USP2GAA |
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-115551841-A | Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor | 爱杜西亚药品有限公司 | 2022-12-30 | — | — | CN | disclosed |