Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6165150 | 0.91 | HDAC6 (0.39) | POLBMAPTTP53DRD2DRD3 | |
| SCHEMBL6607963 | 0.87 | KMT2A (0.39) | MAPTTP53DRD2DRD3CASR | |
| SCHEMBL6433475 | 0.85 | HDAC6 (0.38) | POLBMAPTTP53DRD2DRD3 | |
| SCHEMBL6433297 | 0.85 | SCN9A (0.39) | POLBDRD2DRD3CASRALDH1A1 | |
| SCHEMBL6608281 | 0.83 | POLB (0.41) | POLBMAPTTP53DRD2DRD3 | |
| SCHEMBL6167245 | 0.80 | HDAC6 (0.40) | MAPTDRD2DRD3ALDH1A1GSK3B | |
| SCHEMBL6165043 | 0.80 | HDAC6 (0.41) | MAPTDRD2DRD3 | |
| SCHEMBL6433186 | 0.78 | HDAC6 (0.42) | POLBMAPTTP53DRD2DRD3 | |
| SCHEMBL6433738 | 0.77 | HDAC6 (0.41) | POLBMAPTTP53DRD2DRD3 | |
| SCHEMBL6606944 | 0.77 | SCN5A (0.33) | POLBMAPTTAAR1 |
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-1379511-A1 | DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002083652-A1 | DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-24 | — | — | WO | disclosed |