Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | HK2 | P52789 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | GGT1 | P19440 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9812706 | 0.80 | BACE1 (0.51) | BACE1HK2ALDH1A1HPGDPDE4A | |
| SCHEMBL23535311 | 0.78 | KDM4E (0.62) | HTTTSHRPOLBKDM4EALDH1A1 | |
| SCHEMBL9629380 | 0.78 | HTT (0.55) | BACE1HTTTSHRPOLBKDM4E | |
| SCHEMBL9660408 | 0.77 | HTT (0.51) | HTTTSHRPOLBKDM4EALDH1A1 | |
| SCHEMBL3273499 | 0.77 | BACE1 (0.75) | BACE1ADORA3ADORA2AADORA1NPC1 | |
| SCHEMBL9628422 | 0.75 | HTT (0.53) | BACE1HTTTSHRPOLBKDM4E | |
| SCHEMBL3728321 | 0.74 | KDM4E (0.58) | BACE1ADORA3ADORA2AADORA1TSHR | |
| SCHEMBL9513770 | 0.74 | BACE1 (0.56) | BACE1ADORA3ADORA2AADORA1TSHR | |
| SCHEMBL9628123 | 0.74 | HTT (0.51) | HTTTSHRPOLBKDM4EALDH1A1 | |
| SCHEMBL22163285 | 0.74 | HTT (0.51) | BACE1HTTADORA3ADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5089657-A | Topical antiinflammatory agents | SYNTEX (U.S.A.) INC. (US) | 1992-02-18 | — | — | US | disclosed |