Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | USP1 | O94782 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1699528 | 0.83 | NPC1 (0.51) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699174 | 0.83 | NPC1 (0.51) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699242 | 0.81 | L3MBTL1 (0.56) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699258 | 0.78 | L3MBTL1 (0.55) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699557 | 0.78 | HDAC1 (0.37) | MEN1KMT2AKDM4ERXFP1LMNA | |
| SCHEMBL1699315 | 0.77 | NPC1 (0.50) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699234 | 0.73 | L3MBTL1 (0.54) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699310 | 0.73 | NPC1 (0.59) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699185 | 0.72 | NPC1 (0.50) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 | |
| SCHEMBL1699299 | 0.70 | NPC1 (0.45) | NPC1RAB9AL3MBTL1PKMSMN1; SMN2 |
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-2011163355-A1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-12-29 | — | — | WO | disclosed |