Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 8/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 8/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 8/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 8/20 | 0.35 |
| ▸ | HTR5A | P47898 | 7/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16502739 | 0.85 | PLA2G2D (0.45) | GABRG2GABRB3GABRA5GABRA3HTR5A | |
| SCHEMBL16503574 | 0.85 | GABRG2 (0.33) | GABRG2GABRB3GABRA5GABRA3HTR5A | |
| SCHEMBL16502728 | 0.81 | NPC1 (0.43) | GABRA5HTR5A | |
| SCHEMBL7914783 | 0.81 | GABRG2 (0.34) | GABRG2GABRB3GABRA5GABRA3HTR5A | |
| SCHEMBL16503581 | 0.78 | AKR1C3 (0.36) | DHODH | |
| SCHEMBL16502840 | 0.77 | HTR5A (0.58) | HTR5A | |
| SCHEMBL16503582 | 0.73 | LMNA (0.34) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL16502706 | 0.73 | PLA2G2D (0.43) | HTR5ADHODH | |
| SCHEMBL7921959 | 0.73 | HTR5A (0.44) | HTR5A | |
| SCHEMBL16503579 | 0.72 | PDE10A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2394987-A1 | ACYLGUANIDINE DERIVATIVE | Astellas Pharma Inc. (JP) | 2011-12-14 | — | — | EP | disclosed |