Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | STAT3 | P40763 | 1/20 | 0.35 |
| ▸ | STAT1 | P42224 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6166768 | 0.91 | HDAC6 (0.39) | TP53NPC1SMN1; SMN2RAB9ACYP1A2 | |
| SCHEMBL6613645 | 0.83 | MAPT (0.44) | TP53SMN1; SMN2CYP1A2HPGDCYP2C19 | |
| SCHEMBL6166114 | 0.80 | HDAC6 (0.41) | TP53MAPTMAPK1MEN1KMT2A | |
| SCHEMBL6166861 | 0.80 | CSF1R (0.33) | — | |
| SCHEMBL6625643 | 0.80 | MAPT (0.38) | RAB9AMAPTALDH1A1MAPK1KMT2A | |
| SCHEMBL6166068 | 0.79 | HDAC6 (0.38) | MAPTMEN1KMT2ADRD2DRD3 | |
| SCHEMBL6612425 | 0.79 | NOTUM (0.37) | TP53NPC1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL6608281 | 0.77 | POLB (0.41) | TP53NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL6611895 | 0.75 | ALDH1A1 (0.37) | NPC1SMN1; SMN2RAB9AMAPTALDH1A1 | |
| SCHEMBL6166955 | 0.75 | HDAC6 (0.40) | TP53MAPTDRD2DRD3 |
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 |