Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GNRHR | P30968 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7145770 | 0.76 | CYP2C19 (0.46) | NPC1CYP2C19POLBCYP1A2GAA | |
| SCHEMBL5816404 | 0.76 | CYP2C19 (0.47) | NPC1CYP2C19CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL5807254 | 0.75 | GRIN1 (0.47) | NPC1CYP2C19CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL5806158 | 0.74 | GRIN1 (0.49) | NPC1CYP2C19ALDH1A1MEN1KMT2A | |
| SCHEMBL5816696 | 0.71 | MEN1 (0.46) | NPC1CYP2C19CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL5820957 | 0.68 | TP53 (0.46) | NPC1CYP2C19POLBSMN1; SMN2KDM4E | |
| SCHEMBL5815218 | 0.68 | L3MBTL1 (0.48) | NPC1CYP2C19MEN1KMT2ARAB9A | |
| SCHEMBL5820384 | 0.67 | LMNA (0.47) | NPC1CYP1A2GAASMN1; SMN2KDM4E | |
| SCHEMBL14967110 | 0.66 | LMNA (0.46) | NPC1CYP2C19POLBSMN1; SMN2KDM4E | |
| SCHEMBL5805306 | 0.66 | DRD2 (0.44) | NPC1CYP2C19SMN1; SMN2KDM4EALDH1A1 |
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-2003083063-A2 | COMMON LIGAND MIMICS: NAPHTOATES | TRIAD THERAPEUTICS, INC. (US) | 2003-10-09 | — | — | WO | disclosed |