Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.76 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | SCD | O00767 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12271557 | 0.88 | NPC1 (0.61) | NPC1RXFP1ADORA3MAOBADORA2A | |
| SCHEMBL3579438 | 0.87 | SCD (0.79) | NPC1RXFP1ADORA3MAOBADORA2A | |
| SCHEMBL27706943 | 0.86 | NPC1 (0.62) | NPC1RXFP1ADORA3MAOBADORA2A | |
| SCHEMBL773084 | 0.83 | LCK (0.71) | NPC1SCDRAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL525062 | 0.81 | NPC1 (1.00) | NPC1PKMTDP1RAB9AALDH1A1 | |
| SCHEMBL15634098 | 0.81 | CSNK1D (0.79) | NPC1RXFP1PKMTDP1SCD | |
| SCHEMBL28773945 | 0.81 | NPC1 (0.56) | NPC1RXFP1ADORA3MAOBADORA2A | |
| SCHEMBL27706877 | 0.80 | NPC1 (0.55) | NPC1RXFP1ADORA3MAOBADORA2A | |
| SCHEMBL3593815 | 0.80 | SCD (0.76) | NPC1RXFP1ADORA3MAOBADORA2A | |
| SCHEMBL12443650 | 0.80 | NPC1 (0.87) | NPC1RXFP1RAB9AALDH1A1KMT2A |
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-2029138-A1 | AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS | XENON PHARMACEUTICALS INC. (CA) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007130075-A1 | AMINOTHIAZOLE DERIVATIVES AS HUMAN STEAROYL-COA DESATURASE INHIBITORS | XENON PHARMACEUTICALS INC. (CA) | 2007-11-15 | — | — | WO | disclosed |