Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770338 | 0.80 | CA4 (0.43) | CA4PDK1PDK2PDK3PDK4 | |
| SCHEMBL10477060 | 0.80 | CA4 (0.43) | CA4PDK1PDK2PDK3PDK4 | |
| SCHEMBL20002025 | 0.79 | CA1 (0.50) | CA4PDK1PDK2PDK3PDK4 | |
| SCHEMBL20002023 | 0.79 | GAA (0.40) | PPARAMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16886265 | 0.77 | CA4 (0.37) | CA4PDK1PDK2PDK3PDK4 | |
| SCHEMBL7481516 | 0.77 | PDK1 (0.39) | CA4PDK1PDK2PDK3PDK4 | |
| SCHEMBL13039942 | 0.76 | CA4 (0.40) | CA4PDK1PDK2PDK3PDK4 | |
| SCHEMBL821312 | 0.76 | CA4 (0.40) | CA4PDK1PDK2PDK3PDK4 | |
| SCHEMBL24615573 | 0.75 | LTA4H (0.41) | CA4PDK1PDK2PDK3PDK4 | |
| SCHEMBL6000951 | 0.75 | LTA4H (0.41) | CA4PDK1PDK2PDK3PDK4 |
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 |