Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | COMT | P21964 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23188979 | 0.80 | MAOA (0.44) | MAOAHSD17B3TTRCES1COMT | |
| SCHEMBL8140807 | 0.79 | LMNA (0.57) | MAOAHSD17B3NPC1RAB9ANPSR1 | |
| SCHEMBL17933755 | 0.73 | MAOA (0.57) | MAOAHSD17B3COMTALDH1A1LMNA | |
| SCHEMBL8853356 | 0.69 | GSK3B (0.54) | MAOARAB9ANPSR1ALDH1A1LMNA | |
| SCHEMBL14288794 | 0.67 | MAOA (0.64) | MAOATTRCES1ALDH1A1LMNA | |
| SCHEMBL9628750 | 0.67 | GSK3B (0.44) | MAOANPC1RAB9AALDH1A1LMNA | |
| SCHEMBL23189076 | 0.67 | MAOA (0.44) | MAOANPC1RAB9AALDH1A1NOTUM | |
| SCHEMBL12269612 | 0.66 | ACHE (0.44) | MAOAHSD17B3TTRCES1ALDH1A1 | |
| SCHEMBL12963502 | 0.66 | NPSR1 (0.60) | NPSR1ALDH1A1TSHRLMNA | |
| SCHEMBL4987572 | 0.66 | MAOA (0.43) | MAOAHSD17B3NPC1RAB9AALDH1A1 |
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-2007135294-A2 | 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME | SANOFI-AVENTIS (FR) | 2007-11-29 | — | — | WO | disclosed |