Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 2/20 | 0.46 |
| ▸ | GABRD | O14764 | 2/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.46 |
| ▸ | GABRE | P78334 | 2/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.46 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7141671 | 0.80 | GABRP (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL247201 | 0.79 | CHRNB2 (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL29953499 | 0.77 | SLC22A6 (0.36) | FFAR3MAPT | |
| Hydrochloric Acid SCHEMBL13731807 | 0.76 | GABRA1 (0.41) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL11714076 | 0.73 | GABRP (0.50) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL31170383 | 0.72 | ADRA2B (0.59) | CHRNB2CHRNB4CHRNA4 | |
| SCHEMBL23423706 | 0.72 | — | — | |
| SCHEMBL10906588 | 0.71 | GABRP (0.43) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL25894623 | 0.71 | CYP1A2 (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL5948230 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014096133-A1 | USE OF 3-CARBOXY-N-ETHYL-N,N-DIMETHYLPROPAN-1-AMINIUM OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF IN THE TREATMENT OF ATHEROSCLEROSIS | GRINDEKS, A JOINT STOCK COMPANY (LV) | 2014-06-26 | — | — | WO | disclosed |