Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.45 |
| ▸ | DRD4 | P21917 | 6/20 | 0.45 |
| ▸ | DRD3 | P35462 | 6/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18643855 | 0.88 | DRD2 (0.55) | DRD2DRD4DRD3L3MBTL1GAA | |
| SCHEMBL26116498 | 0.88 | DRD2 (0.55) | DRD2DRD4DRD3L3MBTL1GAA | |
| SCHEMBL13572532 | 0.88 | DRD2 (0.55) | DRD2DRD4DRD3L3MBTL1GAA | |
| SCHEMBL2806021 | 0.88 | DRD2 (0.55) | DRD2DRD4DRD3L3MBTL1GAA | |
| SCHEMBL8955642 | 0.88 | DRD2 (0.55) | DRD2DRD4DRD3L3MBTL1GAA | |
| SCHEMBL18643854 | 0.88 | DRD2 (0.55) | DRD2DRD4DRD3L3MBTL1GAA | |
| SCHEMBL1374364 | 0.86 | DRD2 (0.57) | DRD2DRD4DRD3L3MBTL1GAA | |
| SCHEMBL29290468 | 0.83 | DRD2 (0.50) | DRD2DRD4DRD3L3MBTL1GAA | |
| SCHEMBL26119194 | 0.83 | DRD2 (0.50) | DRD2DRD4DRD3L3MBTL1GAA | |
| SCHEMBL13420131 | 0.81 | APP (0.56) | DRD2DRD4DRD3L3MBTL1APP |
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 |
|---|---|---|---|---|---|---|---|
| US-9139774-B2 | Diacetylene derivative and liquid crystalline polymer having diacetylene structure | TOKYO INSTITUTE OF TECHNOLOGY (JP) | 2015-09-22 | — | — | US | disclosed |