Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 2/20 | 0.31 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2223694 | 0.86 | KDM1A (0.34) | NOS3NOS1NOS2KDM1AKDM1B | |
| SCHEMBL2224534 | 0.79 | KDM1A (0.36) | NOS3NOS1NOS2HTR2AHTR2C | |
| SCHEMBL18293058 | 0.77 | HTR2A (0.42) | NOS3NOS1NOS2BACE1NPC1 | |
| SCHEMBL18289387 | 0.77 | KDM1A (0.35) | NOS3NOS1NOS2BACE1NPC1 | |
| SCHEMBL3747979 | 0.77 | BACE1 (0.39) | NOS3NOS1NOS2BACE1NPC1 | |
| SCHEMBL27703132 | 0.73 | BACE1 (0.35) | BACE1NPC1HTR2AHTR2CHTR2B | |
| SCHEMBL18293084 | 0.73 | NPC1 (0.39) | BACE1NPC1CTSLMEN1KMT2A | |
| SCHEMBL18289370 | 0.73 | HTR2A (0.33) | BACE1NPC1HTR2AHTR2CHTR2B | |
| SCHEMBL23362994 | 0.70 | NPC1 (0.48) | NPC1MEN1KMT2A | |
| SCHEMBL10196253 | 0.69 | HTR2A (0.41) | NOS3NOS1NOS2HTR2AHTR2C |
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-2011083264-A1 | THIOCHROMAN DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | LES LABORATOIRES SERVIER (FR) | 2011-07-14 | — | — | WO | claimed |