Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9256596 | 1.00 | DRD4 (0.41) | DRD4DRD2PARP15PARP10PARP2 | |
| SCHEMBL9256603 | 1.00 | DRD4 (0.41) | DRD4DRD2PARP15PARP10PARP2 | |
| SCHEMBL9253221 | 0.92 | DRD4 (0.39) | DRD4DRD2PARP15PARP10PARP2 | |
| SCHEMBL9253212 | 0.92 | DRD4 (0.39) | DRD4DRD2PARP15PARP10PARP2 | |
| SCHEMBL9253229 | 0.92 | DRD4 (0.39) | DRD4DRD2PARP15PARP10PARP2 | |
| SCHEMBL9249250 | 0.86 | PARP15 (0.39) | PARP15PARP10PARP2 | |
| SCHEMBL9249242 | 0.86 | PARP15 (0.39) | PARP15PARP10PARP2 | |
| SCHEMBL9249223 | 0.86 | PARP15 (0.39) | PARP15PARP10PARP2 | |
| SCHEMBL9255303 | 0.85 | PARP10 (0.41) | PARP15PARP10 | |
| SCHEMBL9255285 | 0.85 | PARP10 (0.41) | PARP15PARP10 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5454974-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1995-10-03 | — | — | US | disclosed |
| US-5302317-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1994-04-12 | — | — | US | disclosed |
| EP-0315014-B1 | Halogenated benzene derivatives | HOFFMANN LA ROCHE (CH) | 1994-01-12 | — | — | EP | disclosed |
| US-5230826-A | HALOBENZENE LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |
| EP-0331933-A2 | Liquid crystal mixture with a low optical anisotropy | F. HOFFMANN-LA ROCHE AG (CH) | 1989-09-13 | — | — | EP | disclosed |
| EP-0315014-A2 | Halogenated benzene derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |