Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8964261 | 1.00 | OPRM1 (0.40) | OPRM1OPRL1CCR1CCR5CCR8 | |
| SCHEMBL9542379 | 0.89 | PDE10A (0.39) | OPRM1OPRL1CCR1CCR5CCR8 | |
| SCHEMBL827646 | 0.84 | CCR1 (0.52) | OPRM1OPRL1CCR1CCR5CCR8 | |
| Ammonia Solution, Strong SCHEMBL17820158 | 0.82 | CCR1 (0.50) | OPRM1OPRL1CCR1CCR5CCR8 | |
| SCHEMBL8963382 | 0.80 | PDE10A (0.37) | PDE10ANOTUMNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9299861 | 0.80 | DRD2 (0.39) | DRD2DRD4KDM5APDE10ANOTUM | |
| SCHEMBL9299863 | 0.80 | DRD2 (0.39) | DRD2DRD4KDM5APDE10ANOTUM | |
| SCHEMBL8963379 | 0.80 | PDE10A (0.37) | PDE10ANOTUMNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8963386 | 0.78 | PDE10A (0.33) | PDE10A | |
| SCHEMBL8963391 | 0.78 | PDE10A (0.33) | PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0559860-B1 | HALOVINYL-DERIVATIVES | HOFFMANN LA ROCHE (CH) | 1996-02-14 | — | — | EP | disclosed |
| US-5364556-A | Halovinyl-derivatives | HOFFMANN-LA ROCHE INC. (US) | 1994-11-15 | — | — | US | disclosed |