Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPA3 | P15088 | 2/20 | 0.62 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.52 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CPA1 | P15085 | 2/20 | 0.47 |
| ▸ | CPB1 | P15086 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20512303 | 0.80 | CPA3 (0.60) | CPA3KEAP1FFAR1SLC15A1LTA4H | |
| SCHEMBL10710074 | 0.80 | CPA3 (0.67) | CPA3KEAP1NAALAD2FFAR1SLC15A1 | |
| SCHEMBL6495926 | 0.78 | CPA3 (0.65) | CPA3KEAP1NAALAD2FFAR1SLC15A1 | |
| SCHEMBL6502909 | 0.78 | CPA3 (0.65) | CPA3KEAP1NAALAD2FFAR1SLC15A1 | |
| SCHEMBL6495924 | 0.78 | CPA3 (0.65) | CPA3KEAP1NAALAD2FFAR1SLC15A1 | |
| SCHEMBL5767750 | 0.77 | CPA3 (0.62) | CPA3KEAP1NAALAD2FFAR1SLC15A1 | |
| SCHEMBL288473 | 0.77 | CPA3 (0.62) | CPA3KEAP1NAALAD2FFAR1SLC15A1 | |
| SCHEMBL757260 | 0.77 | CPA3 (0.62) | CPA3KEAP1NAALAD2FFAR1SLC15A1 | |
| SCHEMBL3440803 | 0.77 | CPA3 (0.62) | CPA3KEAP1NAALAD2FFAR1SLC15A1 | |
| SCHEMBL3963424 | 0.77 | CPA3 (1.00) | CPA3NAALAD2CYP1A2CPA1CPB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1620432-A1 | NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM | Menarini Ricerche S.p.A. (IT) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004094412-A1 | NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM | MENARINI RICERCHE S.P.A. (IT) | 2004-11-04 | — | — | WO | disclosed |