Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.45 |
| ▸ | HTR2C | P28335 | 5/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GPR6 | P46095 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL14983620 | 0.87 | LMNA (0.51) | HTR2AHTR2CPIK3CANAMPT | |
| SCHEMBL12049945 | 0.85 | HTR2A (0.50) | HTR2AHTR2CKCNH2PIK3CANAMPT | |
| SCHEMBL9963142 | 0.77 | HTR6 (0.39) | PIK3CANAMPTDRD2 | |
| SCHEMBL20003045 | 0.76 | HTR2A (0.47) | HTR2AHTR2CKCNH2CYP3A4CYP2C19 | |
| SCHEMBL13873139 | 0.75 | EPHX2 (0.47) | HTR2AHTR2CKCNH2CYP3A4CYP2C19 | |
| SCHEMBL20002244 | 0.74 | RORC (0.46) | HTR2AHTR2CKCNH2CYP3A4CYP2C19 | |
| SCHEMBL644453 | 0.73 | HTR2A (0.51) | HTR2AHTR2CKCNH2DRD2EPHX2 | |
| SCHEMBL17008693 | 0.73 | HTR2A (0.50) | HTR2AHTR2CKCNH2CYP3A4CYP2C19 | |
| SCHEMBL14413535 | 0.72 | EPHX2 (0.47) | HTR2AHTR2CKCNH2CYP3A4CYP2C19 | |
| SCHEMBL13890294 | 0.72 | EPHX2 (0.50) | HTR2AHTR2CKCNH2GPR6DRD2 |
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-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |