Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | STAT3 | P40763 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7996195 | 0.94 | NPC1 (0.42) | NPC1MGLLCYP46A1HRH3TSHR | |
| SCHEMBL7997634 | 0.91 | NPC1 (0.45) | NPC1MGLLCYP46A1HRH3TSHR | |
| SCHEMBL7999939 | 0.90 | MGLL (0.52) | MGLLCYP46A1HRH3PLA2G2ADGAT1 | |
| SCHEMBL8003104 | 0.87 | MGLL (0.46) | MGLLCYP46A1HRH3PLA2G2ADGAT1 | |
| SCHEMBL7071609 | 0.86 | NPC1 (0.65) | NPC1MGLLTSHRHPGDLMNA | |
| SCHEMBL7999871 | 0.84 | MGLL (0.48) | MGLLCYP46A1HRH3TSHRPLA2G2A | |
| SCHEMBL7076687 | 0.83 | TSHR (0.59) | NPC1MGLLTSHRHPGDDGAT1 | |
| SCHEMBL7999722 | 0.83 | ALDH1A1 (0.45) | HRH3TSHRPLA2G2ALMNA | |
| SCHEMBL7996072 | 0.79 | LMNA (0.46) | HPGDLMNARAB9A | |
| SCHEMBL7996357 | 0.79 | NPC1 (0.54) | NPC1HRH3TSHRHPGDGRM5 |
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-2000008005-A2 | PIPERAZINONE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-02-17 | — | — | WO | disclosed |