Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SPHK2 | Q9NRA0 | 4/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL6275956 | 1.00 | NPC1 (0.46) | NPC1LMNARAB9AMAPTHTT | |
| SCHEMBL6274681 | 0.81 | NR3C2 (0.43) | NPC1LMNARAB9AMAPTHTT | |
| SCHEMBL6281046 | 0.79 | MAOB (0.33) | AKR1C3MAOB | |
| SCHEMBL6273406 | 0.73 | MAPT (0.48) | MAPTHTTSMN1; SMN2MAOB | |
| SCHEMBL3646136 | 0.73 | RAB9A (0.65) | NPC1LMNARAB9AMAPTSPHK2 | |
| SCHEMBL6274294 | 0.73 | MRGPRX4 (0.48) | NPC1RAB9ASLC2A1SLC2A4POLB | |
| SCHEMBL6273142 | 0.71 | SNCA (0.39) | NPC1RAB9AMAPTAPPPOLB | |
| SCHEMBL6273143 | 0.71 | SNCA (0.39) | NPC1RAB9AMAPTAPPPOLB | |
| SCHEMBL2399827 | 0.70 | NPC1 (0.71) | NPC1LMNARAB9AMAPTHTT | |
| SCHEMBL2399830 | 0.70 | NPC1 (0.71) | NPC1LMNARAB9AMAPTHTT |
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-2005116010-A1 | EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF | MERCK FROSST CANADA LTD. (CA) | 2005-12-08 | — | — | WO | disclosed |