Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | SCN4A | P35499 | 2/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.39 |
| ▸ | GABRR2 | P28476 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7238650 | 0.82 | HCAR2 (0.44) | HCAR2CYP2C19HDAC3TNKSHDAC4 | |
| SCHEMBL3144362 | 0.82 | HCAR2 (0.44) | HCAR2CYP2C19HDAC3TNKSHDAC4 | |
| SCHEMBL7239259 | 0.82 | HCAR2 (0.44) | HCAR2CYP2C19HDAC3TNKSHDAC4 | |
| SCHEMBL17460171 | 0.81 | GABBR2 (0.44) | HCAR2CYP2C19HDAC3TNKSHDAC4 | |
| SCHEMBL17730952 | 0.78 | CYP2C19 (0.62) | HCAR2CYP2C19HDAC3TNKSHDAC4 | |
| SCHEMBL7374430 | 0.78 | HCAR2 (0.49) | HCAR2CYP2C19 | |
| SCHEMBL17730949 | 0.78 | CYP2C19 (0.62) | HCAR2CYP2C19HDAC3TNKSHDAC4 | |
| SCHEMBL17730856 | 0.76 | GABBR2 (0.41) | HCAR2CYP2C19HDAC3TNKSHDAC4 | |
| SCHEMBL17730855 | 0.76 | GABBR2 (0.41) | HCAR2CYP2C19HDAC3TNKSHDAC4 | |
| SCHEMBL30715266 | 0.76 | HCAR2 (0.42) | HCAR2CYP2C19SLC15A1HDAC3TNKS |
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 4 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 |
| EP-0012194-B1 | PROCESS FOR THE PREPARATION OF N-CARBOXYALKYL-1-AMINOALKANE DIPHOSPHONIC ACIDS AND CARBOXYALKYLAMINO-PHENYL-METHANE DIPHOSPHONIC ACIDS | Benckiser-Knapsack GmbH (DE) | 1982-02-03 | — | — | EP | disclosed |
| EP-0012194-A1 | Process for the preparation of N-carboxyalkyl-1-aminoalkane diphosphonic acids and carboxyalkylamino-phenyl-methane diphosphonic acids | Benckiser-Knapsack GmbH (DE) | 1980-06-25 | — | — | EP | disclosed |