Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 11/20 | 0.47 |
| ▸ | HTR2C | P28335 | 9/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.47 |
| ▸ | DRD2 | P14416 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL20003234 | 0.83 | HTR2A (0.45) | HTR2AHTR2CKCNH2DRD2CYP3A4 | |
| SCHEMBL20003165 | 0.76 | HTR2A (0.45) | HTR2AHTR2CKCNH2DRD2CYP3A4 | |
| SCHEMBL644453 | 0.75 | HTR2A (0.51) | HTR2AHTR2CKCNH2DRD2PKM | |
| SCHEMBL14413535 | 0.75 | EPHX2 (0.47) | HTR2AHTR2CKCNH2DRD2CYP3A4 | |
| SCHEMBL25010508 | 0.75 | HTR2A (0.68) | HTR2AHTR2CKCNH2DRD2 | |
| SCHEMBL20002765 | 0.75 | HTR2A (0.68) | HTR2AHTR2CKCNH2DRD2 | |
| SCHEMBL20003027 | 0.74 | EPHX2 (0.43) | HTR2AHTR2CKCNH2DRD2CYP3A4 | |
| SCHEMBL12100127 | 0.73 | MMP9 (0.47) | HTR2AEPHX2 | |
| SCHEMBL29051096 | 0.72 | RAB9A (0.49) | DRD2CYP3A4CYP2C19MAPT | |
| SCHEMBL29051099 | 0.72 | RAB9A (0.49) | DRD2CYP3A4CYP2C19MAPT |
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 |