Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | RAB9A | P51151 | 2/20 | 0.69 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.55 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | AR | P10275 | 1/20 | 0.55 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.55 |
| ▸ | DRD3 | P35462 | 1/20 | 0.55 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.55 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.55 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.55 |
| ▸ | HTR1B | P28222 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | LTA4H | P09960 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9389817 | 0.95 | NPC1 (0.67) | NPC1RAB9AGRIN1GRIN2BKCNH2 | |
| SCHEMBL14113144 | 0.85 | NPC1 (0.93) | NPC1RAB9AGRIN1GRIN2BKCNH2 | |
| SCHEMBL9732793 | 0.83 | NPC1 (0.73) | NPC1RAB9AGRIN1GRIN2BKCNH2 | |
| SCHEMBL9387271 | 0.83 | NPC1 (0.68) | NPC1RAB9AGRIN1GRIN2BKCNH2 | |
| SCHEMBL7245209 | 0.82 | KCNH2 (0.51) | NPC1RAB9AGRIN1GRIN2BKCNH2 | |
| SCHEMBL8795293 | 0.82 | NPC1 (0.71) | NPC1RAB9AGRIN1GRIN2BKCNH2 | |
| SCHEMBL9732903 | 0.82 | NPC1 (0.71) | NPC1RAB9AGRIN1GRIN2BKCNH2 | |
| SCHEMBL10461990 | 0.82 | NPC1 (0.71) | NPC1RAB9AGRIN1GRIN2BKCNH2 | |
| SCHEMBL12678489 | 0.81 | NPC1 (0.61) | NPC1RAB9AGRIN1GRIN2BKCNH2 | |
| SCHEMBL7245207 | 0.81 | NPC1 (0.48) | NPC1RAB9AGRIN1GRIN2BKCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013143597-A1 | DEMETHYLASE ENZYMES INHIBITORS | GLAXO GROUP LIMITED (GB) | 2013-10-03 | — | — | WO | disclosed |
| US-5104892-A | N-heteroalkyl substitutes 1-aryloxy-2-propanolamine | AMERICAN HOME PRODUCTS CORPORATION (US) | 1992-04-14 | — | — | US | disclosed |