Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKAA2 | P54646 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 4/20 | 0.46 |
| ▸ | KDM1A | O60341 | 3/20 | 0.45 |
| ▸ | MLNR | O43193 | 3/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002837 | 0.84 | RORC (0.49) | HTR2AHTR2CKCNH2SMN1; SMN2ALDH1A1 | |
| SCHEMBL20003002 | 0.78 | TSHR (0.48) | SMN1; SMN2ALDH1A1RORC | |
| SCHEMBL19702674 | 0.77 | SMN1; SMN2 (0.54) | PRKAA2SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL7030971 | 0.76 | HTR2A (0.73) | PRKAA2HTR2AHTR2CKCNH2 | |
| SCHEMBL12385821 | 0.74 | ALDH1A1 (0.59) | CNR1SMN1; SMN2ALDH1A1KDM1AMLNR | |
| SCHEMBL20002968 | 0.74 | RORC (0.48) | PRKAA2HTR2AHTR2CKCNH2RORC | |
| SCHEMBL16632052 | 0.74 | HTR2A (0.49) | PRKAA2HTR2AHTR2CKCNH2KDM1A | |
| SCHEMBL14413535 | 0.74 | EPHX2 (0.47) | HTR2AHTR2CKCNH2RORCPOLB | |
| SCHEMBL6585537 | 0.74 | HTR2A (0.73) | PRKAA2HTR2AHTR2CKCNH2SMN1; SMN2 | |
| SCHEMBL15231711 | 0.73 | HTR2A (0.48) | PRKAA2HTR2AHTR2CKCNH2RORC |
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 |