Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 5/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 4/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.45 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21273954 | 0.92 | PARP1 (0.45) | ADRA1AADRA1BADRA1DHTR1ADRD3 | |
| SCHEMBL21285495 | 0.86 | PARP1 (0.42) | ADRA1AADRA1BADRA1DDRD3HTR7 | |
| SCHEMBL21268787 | 0.86 | PARP1 (0.42) | ADRA1AADRA1BADRA1DHTR1ADRD3 | |
| SCHEMBL21274101 | 0.86 | NPC1 (0.55) | ADRA1AADRA1BADRA1DHTR1ADRD3 | |
| SCHEMBL21274021 | 0.86 | SIGMAR1 (0.37) | HTR1AHTR2AHTR7DRD2PARP1 | |
| SCHEMBL21281451 | 0.86 | SIGMAR1 (0.37) | ADRA1AADRA1BHTR1AHTR2AHTR7 | |
| SCHEMBL21274120 | 0.86 | PARP1 (0.36) | HTR1AHTR2AHTR7DRD2PARP1 | |
| SCHEMBL21268724 | 0.86 | ADRA1A (0.37) | ADRA1AADRA1BADRA1DHTR1ADRD3 | |
| SCHEMBL21274069 | 0.84 | PARP1 (0.52) | HTR7PARP1 | |
| SCHEMBL21274094 | 0.84 | PARP1 (0.50) | HTR7PARP1 |
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 |