Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | MAT2A | P31153 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | PDE1A | P54750 | 1/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8962734 | 0.94 | DRD1 (0.42) | IDO1DRD1MAT2ABACE1MEN1 | |
| SCHEMBL8962726 | 0.94 | DRD1 (0.42) | IDO1DRD1MAT2ABACE1MEN1 | |
| SCHEMBL8963101 | 0.90 | IDO1 (0.41) | IDO1DRD1MAT2APOLBBACE1 | |
| SCHEMBL8963111 | 0.90 | IDO1 (0.41) | IDO1DRD1MAT2APOLBBACE1 | |
| SCHEMBL8963275 | 0.86 | IDO1 (0.39) | IDO1DRD1MAT2ABACE1ALDH1A1 | |
| SCHEMBL8962862 | 0.85 | SLC18A3 (0.39) | LMNASLC18A3ALDH1A1NPC1RAB9A | |
| SCHEMBL8962852 | 0.85 | SLC18A3 (0.39) | LMNASLC18A3ALDH1A1NPC1RAB9A | |
| SCHEMBL8963151 | 0.82 | IDO1 (0.40) | IDO1DRD1MAT2AALDH1A1 | |
| SCHEMBL8963147 | 0.82 | IDO1 (0.40) | IDO1DRD1MAT2AALDH1A1 | |
| SCHEMBL8963257 | 0.81 | SLC18A3 (0.41) | LMNASLC18A3ALDH1A1 |
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-1993007234-A1 | HALOVINYL-DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-15 | — | — | WO | disclosed |