Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | RORC | P51449 | 4/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP7 | P09237 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002927 | 0.91 | ALDH1A1 (0.46) | ALDH1A1RORCCNR1GFERL3MBTL1 | |
| SCHEMBL20002434 | 0.83 | L3MBTL1 (0.56) | ALDH1A1RORCL3MBTL1NPSR1HSD11B1 | |
| SCHEMBL20002381 | 0.83 | L3MBTL1 (0.56) | ALDH1A1RORCL3MBTL1NPSR1HSD11B1 | |
| SCHEMBL20003061 | 0.81 | RORC (0.54) | RORC | |
| SCHEMBL20002920 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CNR1L3MBTL1NPSR1TSHR | |
| SCHEMBL20003236 | 0.78 | RORC (0.45) | RORCHSD11B1 | |
| SCHEMBL20002759 | 0.75 | GFER (0.43) | ALDH1A1RORCCNR1GFERNPSR1 | |
| SCHEMBL20002251 | 0.74 | RORC (0.52) | ALDH1A1RORCL3MBTL1 | |
| SCHEMBL20002731 | 0.74 | L3MBTL1 (0.48) | ALDH1A1RORCL3MBTL1GAA | |
| SCHEMBL20002254 | 0.74 | L3MBTL1 (0.48) | ALDH1A1RORCL3MBTL1GAA |
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 |