Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 7/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5197772 | 0.91 | S1PR1 (0.39) | S1PR1S1PR4S1PR5S1PR3ACKR3 | |
| SCHEMBL5172133 | 0.86 | CNR2 (0.33) | S1PR1S1PR3HCRTR1HCRTR2 | |
| SCHEMBL5182850 | 0.84 | ACKR3 (0.38) | S1PR1S1PR4S1PR5S1PR3ACKR3 | |
| SCHEMBL5170925 | 0.83 | POLB (0.36) | HCRTR1HCRTR2 | |
| SCHEMBL5163144 | 0.82 | HRH3 (0.39) | ACKR3 | |
| SCHEMBL5170526 | 0.79 | KCNH2 (0.33) | KCNH2 | |
| SCHEMBL5172294 | 0.79 | DPP4 (0.39) | P2RX3 | |
| SCHEMBL5170856 | 0.78 | PPARD (0.38) | S1PR1TP53 | |
| SCHEMBL5169411 | 0.78 | KCNH2 (0.35) | KCNH2GPR119 | |
| SCHEMBL5170176 | 0.77 | SLC18A2 (0.36) | — |
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-1778643-A1 | TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR | GLAXO GROUP LIMITED (GB) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006018260-A1 | TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H 3 RECEPTOR | GLAXO GROUP LIMITED (GB) | 2006-02-23 | — | — | WO | disclosed |