Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9253212 | 1.00 | DRD4 (0.39) | DRD4DRD2PARP15PARP10PARP2 | |
| SCHEMBL9253221 | 1.00 | DRD4 (0.39) | DRD4DRD2PARP15PARP10PARP2 | |
| SCHEMBL9256603 | 0.92 | DRD4 (0.41) | DRD4DRD2PARP15PARP10PARP2 | |
| SCHEMBL9256596 | 0.92 | DRD4 (0.41) | DRD4DRD2PARP15PARP10PARP2 | |
| SCHEMBL9256583 | 0.92 | DRD4 (0.41) | DRD4DRD2PARP15PARP10PARP2 | |
| SCHEMBL9252822 | 0.87 | PARP15 (0.38) | PARP15PARP10PARP2 | |
| SCHEMBL9252833 | 0.87 | PARP15 (0.38) | PARP15PARP10PARP2 | |
| SCHEMBL9252841 | 0.87 | PARP15 (0.38) | PARP15PARP10PARP2 | |
| SCHEMBL9245981 | 0.86 | PARP10 (0.40) | PARP15PARP10 | |
| SCHEMBL9245972 | 0.86 | PARP10 (0.40) | 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 4 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 |
| US-5230826-A | HALOBENZENE LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |
| US-5013477-A | Alkenylbicyclohexane liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1991-05-07 | — | — | US | disclosed |