Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | RARB | P10826 | 3/20 | 0.55 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9161032 | 0.86 | NPC1 (0.56) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9506174 | 0.85 | CYP2D6 (0.57) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9184595 | 0.85 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9506148 | 0.85 | CYP2D6 (0.57) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9330768 | 0.85 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2HSD17B10CYP2D6 | |
| SCHEMBL9153965 | 0.84 | RARB (0.71) | NPC1RAB9AHSD17B10CYP2D6CYP3A4 | |
| SCHEMBL9150611 | 0.84 | RARB (0.71) | NPC1RAB9AHSD17B10CYP2D6CYP3A4 | |
| SCHEMBL9155028 | 0.84 | RARB (0.71) | NPC1RAB9AHSD17B10CYP2D6CYP3A4 | |
| SCHEMBL7775244 | 0.84 | RARB (0.71) | NPC1RAB9AHSD17B10CYP2D6CYP3A4 | |
| SCHEMBL2204178 | 0.84 | RARB (0.71) | NPC1RAB9AHSD17B10CYP2D6CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |