Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 4/20 | 0.38 |
| ▸ | RORC | P51449 | 4/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | USP19 | O94966 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002187 | 0.80 | RORC (0.44) | HSD11B1RORCRAB9AATMALDH1A1 | |
| SCHEMBL20002819 | 0.80 | RORC (0.44) | HSD11B1RORCRAB9AATMALDH1A1 | |
| SCHEMBL20002166 | 0.80 | RORC (0.40) | HSD11B1RORCTACR3RAB9ANPC1 | |
| SCHEMBL20002171 | 0.78 | KMT2A (0.38) | HSD11B1RORCRAB9ANPC1ATM | |
| SCHEMBL20003044 | 0.78 | RORC (0.40) | RORCRAB9ANPC1ATMALDH1A1 | |
| SCHEMBL20002856 | 0.77 | RORC (0.42) | HSD11B1RORCRAB9ANPC1ATM | |
| SCHEMBL20002926 | 0.77 | RORC (0.43) | RORCNR1I2MAPK1 | |
| SCHEMBL20002508 | 0.77 | RORC (0.35) | RORCTACR3SMN1; SMN2GFER | |
| SCHEMBL20002965 | 0.77 | RORC (0.34) | RORCTACR3SMN1; SMN2GFER | |
| SCHEMBL20002748 | 0.77 | RORC (0.39) | HSD11B1RORCRAB9ANPC1ATM |
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 |