Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 4/20 | 0.52 |
| ▸ | DRD4 | P21917 | 4/20 | 0.51 |
| ▸ | DRD2 | P14416 | 3/20 | 0.51 |
| ▸ | DRD3 | P35462 | 3/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL3790721 | 0.94 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2HSD17B10LTA4H | |
| SCHEMBL6907235 | 0.89 | NR5A1 (0.62) | NPC1RAB9ASMN1; SMN2HSD17B10LTA4H | |
| Dimethylamine SCHEMBL3444887 | 0.88 | DRD4 (0.56) | NPC1RAB9ASMN1; SMN2HSD17B10LTA4H | |
| SCHEMBL9702794 | 0.88 | MEN1 (0.58) | NPC1RAB9ASMN1; SMN2HSD17B10LTA4H | |
| SCHEMBL11662072 | 0.88 | NR5A1 (0.66) | NPC1RAB9ASMN1; SMN2HSD17B10LTA4H | |
| SCHEMBL6122097 | 0.88 | NR5A1 (0.66) | NPC1RAB9ASMN1; SMN2HSD17B10LTA4H | |
| SCHEMBL5599322 | 0.88 | NR5A1 (0.66) | NPC1RAB9ASMN1; SMN2HSD17B10LTA4H | |
| SCHEMBL2411188 | 0.87 | DRD4 (0.55) | NPC1RAB9ASMN1; SMN2DRD4DRD2 | |
| SCHEMBL23804877 | 0.87 | LTA4H (0.59) | NPC1RAB9ASMN1; SMN2HSD17B10LTA4H | |
| SCHEMBL3446688 | 0.85 | ALDH3A1 (0.56) | DRD4DRD2DRD3KCNH2ALDH3A1 |
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-1992013820-A1 | PROCESS FOR THE PREPARATION OF ALKYL-4-HALOPHENYL ETHERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-08-20 | — | — | WO | disclosed |