Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | SNCA | P37840 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11516330 | 0.74 | GRIA1 (0.41) | MYCNR4A1HSD17B3GRIA1GRIA2 | |
| SCHEMBL1165819 | 0.69 | GRIA1 (0.36) | MYCNR4A1HSD17B3GRIA1GRIA2 | |
| SCHEMBL10508972 | 0.64 | ALOX15 (0.41) | — | |
| SCHEMBL27034742 | 0.64 | GRIA1 (0.38) | GRIA1GRIA2GRIA3GRIA4CYP1A2 | |
| SCHEMBL28094908 | 0.64 | GRIA1 (0.39) | MYCNR4A1HSD17B3GRIA1GRIA2 | |
| SCHEMBL1049587 | 0.64 | GRIA1 (0.41) | GRIA1GRIA2GRIA3GRIA4CYP1A2 | |
| SCHEMBL3846102 | 0.60 | AADAT (0.34) | HSD17B3CYP1A2CYP2C9CYP2C19LMNA | |
| SCHEMBL4096555 | 0.57 | KDM4E (0.63) | — | |
| SCHEMBL68088 | 0.57 | KDM4E (0.48) | LMNA | |
| SCHEMBL16075988 | 0.56 | HSD17B3 (0.38) | HSD17B3GRIA1GRIA2GRIA3GRIA4 |
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-3057957-A1 | CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS | Takeda Pharmaceutical Company Limited (JP) | 2016-08-24 | — | — | EP | disclosed |
| WO-2015055994-A1 | CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS | TAKEDA CAMBRIDGE LIMITED (GB) | 2015-04-23 | — | — | WO | disclosed |