Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6165850 | 0.83 | AAK1 (0.39) | — | |
| SCHEMBL6610509 | 0.83 | GAA (0.37) | NPC1L3MBTL1GPR35ALDH1A1KMT2A | |
| SCHEMBL6607347 | 0.82 | CFTR (0.34) | IDO1 | |
| SCHEMBL6641220 | 0.80 | MAPT (0.40) | NPC1RAB9AALDH1A1MAPTNPSR1 | |
| SCHEMBL27597110 | 0.78 | ALDH1A1 (0.33) | GPR35ALDH1A1MEN1KMT2A | |
| SCHEMBL27597109 | 0.75 | PTGS2 (0.44) | RAB9AIDO1ALDH1A1MEN1KMT2A | |
| SCHEMBL6610270 | 0.73 | HDAC2 (0.38) | RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL27597105 | 0.73 | CD44 (0.52) | NPC1RAB9AL3MBTL1GPR35ALDH1A1 | |
| SCHEMBL27597171 | 0.70 | CD44 (0.52) | NPC1RAB9AL3MBTL1GPR35ALDH1A1 | |
| SCHEMBL6608117 | 0.69 | PTGER4 (0.47) | NPC1RAB9APOLB |
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 |