Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TEAD3 | Q99594 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | XIAP | P98170 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 3/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 2/20 | 0.35 |
| ▸ | UGCG | Q16739 | 2/20 | 0.35 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4251386 | 0.89 | GAA (0.40) | GAAMEN1KMT2ATEAD3LTA4H | |
| Hydrochloric Acid SCHEMBL4251381 | 0.88 | GAA (0.39) | GAAMEN1KMT2ATEAD3CYP3A4 | |
| Hydrochloric Acid SCHEMBL4993066 | 0.88 | GAA (0.39) | GAAMEN1KMT2ATEAD3CYP3A4 | |
| SCHEMBL14093724 | 0.85 | GAA (0.39) | GAAMEN1KMT2ATEAD3CYP3A4 | |
| SCHEMBL4988616 | 0.85 | GAA (0.39) | GAAMEN1KMT2ATEAD3CYP3A4 | |
| Hydrochloric Acid SCHEMBL4988622 | 0.84 | GAA (0.38) | GAAMEN1KMT2ATEAD3CYP3A4 | |
| Hydrochloric Acid SCHEMBL4988609 | 0.84 | GAA (0.38) | GAAMEN1KMT2ATEAD3CYP3A4 | |
| SCHEMBL8213549 | 0.80 | NPC1 (0.34) | GAAMEN1KMT2ATEAD3CYP3A4 | |
| SCHEMBL8209635 | 0.79 | GAA (0.36) | GAAMEN1KMT2ATEAD3LTA4H | |
| Hydrochloric Acid SCHEMBL4993551 | 0.78 | GAA (0.35) | GAAMEN1KMT2ATEAD3LTA4H |
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-2069317-A2 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008034735-A2 | 4-OXO-2,3,4,5-TETRAHYDRO-BENZO[B][1,4]DIAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | WO | disclosed |