Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.35 |
| ▸ | MTOR | P42345 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP4 | P49662 | 1/20 | 0.35 |
| ▸ | CASP5 | P51878 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21273999 | 0.82 | SMN1; SMN2 (0.53) | PARP1PIK3CAMTORKDM4EALDH1A1 | |
| SCHEMBL21274001 | 0.82 | CHKA (0.43) | TDP1L3MBTL1HRH3CYP1A2CYP3A4 | |
| SCHEMBL21274094 | 0.79 | PARP1 (0.50) | PARP1HTR7 | |
| SCHEMBL22802004 | 0.78 | PARP1 (0.46) | L3MBTL1HRH3PARP1KDM4EALDH1A1 | |
| SCHEMBL21281583 | 0.78 | PARP1 (0.51) | HRH3PARP1NOS3NOS1NOS2 | |
| SCHEMBL21274069 | 0.77 | PARP1 (0.52) | HRH3CYP1A2PARP1KDM4EALDH1A1 | |
| SCHEMBL21281486 | 0.76 | PARP1 (0.36) | HRH3PARP1NOS3NOS1NOS2 | |
| SCHEMBL21274474 | 0.74 | PIM1 (0.44) | HRH3PARP1PIK3CAMTORALDH1A1 | |
| SCHEMBL21274287 | 0.74 | KCNH2 (0.45) | PARP1ALDH1A1HTR1AHTR2ADRD2 | |
| SCHEMBL21268791 | 0.73 | HTR3E (0.43) | TDP1HRH3CYP1A2CYP3A4PARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3527209-A1 | PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES | UCB Biopharma SPRL (BE) | 2019-08-21 | — | — | EP | disclosed |