Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | CASP4 | P49662 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | CASP9 | P55211 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 9/20 | 0.36 |
| ▸ | APP | P05067 | 7/20 | 0.36 |
| ▸ | SNCA | P37840 | 7/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6960522 | 1.00 | PTGS2 (0.38) | PTGS2CASP1CASP3CASP4CASP7 | |
| SCHEMBL6961473 | 0.90 | SMN1; SMN2 (0.44) | NR1H2NR1H3MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL6961468 | 0.90 | SMN1; SMN2 (0.44) | NR1H2NR1H3MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL6965874 | 0.86 | CYP2C9 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL6965878 | 0.86 | CYP2C9 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL6965871 | 0.86 | CYP2C9 (0.42) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL6966700 | 0.85 | CYP3A4 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6966708 | 0.85 | CYP3A4 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6958112 | 0.83 | CYP3A4 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 | |
| SCHEMBL6954263 | 0.82 | CYP3A4 (0.41) | CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1 |
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-0767172-B1 | 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMA (US) | 2003-03-26 | — | — | EP | disclosed |
| EP-0767172-A1 | 8-Arylalkyl- and 8-arylheteroalkyl-5, 11-dihydro-6H-dipyrido-[3,2-b:2', 3'-e][1,4]diazepines and their use in the prevention or treatment of HIV infection | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 1997-04-09 | — | — | EP | disclosed |