Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.57 |
| ▸ | GPR52 | Q9Y2T5 | 9/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5744602 | 1.00 | GRIK1 (0.57) | GRIK1GPR52KEAP1LMNAHDAC3 | |
| SCHEMBL27878992 | 0.89 | LMNA (0.50) | GRIK1KEAP1LMNAHDAC3MAPK1 | |
| SCHEMBL7092819 | 0.82 | TBXAS1 (0.51) | GPR52 | |
| SCHEMBL6948797 | 0.80 | MAOB (0.44) | GRIK1KEAP1LMNASMN1; SMN2 | |
| SCHEMBL6948801 | 0.80 | MAOB (0.44) | GRIK1KEAP1LMNASMN1; SMN2 | |
| SCHEMBL22607727 | 0.80 | GRIK1 (0.56) | GRIK1GPR52KEAP1HDAC3MAPK1 | |
| SCHEMBL8218335 | 0.80 | GRIK1 (0.56) | GRIK1GPR52KEAP1HDAC3MAPK1 | |
| SCHEMBL1027806 | 0.78 | GRIK1 (0.50) | GRIK1GPR52KEAP1LMNASMN1; SMN2 | |
| SCHEMBL197322 | 0.77 | GRIK1 (0.53) | GRIK1GPR52KEAP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL197321 | 0.77 | GRIK1 (0.53) | GRIK1GPR52KEAP1SMN1; SMN2ALDH1A1 |
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 |