Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 4/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002025 | 0.82 | CA1 (0.50) | GAANFE2L2ACHECYP3A4MAPT | |
| SCHEMBL19477799 | 0.81 | GAA (0.42) | GAANFE2L2CASRRORCACHE | |
| SCHEMBL20003172 | 0.79 | CA4 (0.40) | RORCCYP1A2CYP2D6CYP2C19MEN1 | |
| SCHEMBL16886216 | 0.78 | GAA (0.38) | GAANFE2L2CASRRORCACHE | |
| SCHEMBL4977051 | 0.78 | NFE2L2 (0.41) | GAANFE2L2CASRACHECYP1A2 | |
| SCHEMBL10603546 | 0.76 | GAA (0.42) | GAANFE2L2RORCACHEMAPT | |
| SCHEMBL255560 | 0.75 | GPR3 (0.52) | GAACASRMAPTHSD11B1GPR3 | |
| SCHEMBL3160868 | 0.74 | NFE2L2 (0.39) | GAANFE2L2CASRACHECYP1A2 | |
| SCHEMBL22967387 | 0.73 | HSPB1 (0.48) | GAANFE2L2MEN1MAPTKMT2A | |
| SCHEMBL10641834 | 0.73 | GAA (0.40) | GAANFE2L2RORCMAPTHSD11B1 |
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 |