Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4944206 | 0.92 | CYP1A2 (0.49) | CYP3A4CYP2D6CYP2C19GAAKMT2A | |
| SCHEMBL5037810 | 0.92 | CYP1A2 (0.49) | CYP3A4CYP2D6CYP2C19GAAKMT2A | |
| SCHEMBL4940078 | 0.92 | CYP1A2 (0.49) | CYP3A4CYP2D6CYP2C19GAAKMT2A | |
| SCHEMBL14186683 | 0.84 | NOD1 (0.47) | MAPTKMT2A | |
| SCHEMBL5037670 | 0.84 | NOD1 (0.47) | MAPTKMT2A | |
| SCHEMBL13788520 | 0.81 | CYP1A2 (0.46) | CYP3A4CYP2D6CYP2C19GAAKMT2A | |
| SCHEMBL5034461 | 0.81 | FAAH (0.46) | — | |
| SCHEMBL5038849 | 0.80 | DGKA (0.42) | CYP3A4MAPTSMN1; SMN2CYP1A2L3MBTL1 | |
| SCHEMBL4941280 | 0.79 | TSHR (0.47) | SMN1; SMN2L3MBTL1 | |
| SCHEMBL562999 | 0.79 | TSHR (0.47) | SMN1; SMN2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7112612-B2 | N-alkylated GABA compounds, processes for their preparation and their use as medicaments | UCB S.A. (BE) | 2006-09-26 | — | — | US | disclosed |