Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13565752 | 1.00 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL17090256 | 0.91 | CNR2 (0.39) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL13565815 | 0.91 | CNR2 (0.39) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL11934887 | 0.90 | SMN1; SMN2 (0.40) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL13438769 | 0.90 | SMN1; SMN2 (0.40) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL13439005 | 0.84 | SMN1; SMN2 (0.42) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL11935318 | 0.84 | SMN1; SMN2 (0.42) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL13565037 | 0.81 | MAPT (0.40) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL11935136 | 0.81 | NPY5R (0.41) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL11936151 | 0.81 | NPY5R (0.41) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 |
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-9139518-B2 | Amine derivative having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2015-09-22 | — | — | US | disclosed |