Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 2/20 | 0.46 |
| ▸ | MMP13 | P45452 | 5/20 | 0.34 |
| ▸ | MMP1 | P03956 | 3/20 | 0.34 |
| ▸ | MMP2 | P08253 | 3/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | MMP12 | P39900 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002445 | 0.83 | RORC (0.41) | RORCMMP13MMP2SMN1; SMN2THRB | |
| SCHEMBL20002187 | 0.81 | RORC (0.44) | RORCMMP13MMP2SMN1; SMN2ALDH1A1 | |
| SCHEMBL20002819 | 0.81 | RORC (0.44) | RORCMMP13MMP2SMN1; SMN2ALDH1A1 | |
| SCHEMBL20002460 | 0.79 | RORC (0.55) | RORCMMP13MMP1MMP2MMP3 | |
| SCHEMBL20003037 | 0.78 | RORC (0.38) | RORCALDH1A1CYP2C19HTTNPC1 | |
| SCHEMBL20003049 | 0.77 | AKR1C3 (0.51) | SMN1; SMN2ALDH1A1CYP2C19HTTNPC1 | |
| SCHEMBL20002856 | 0.76 | RORC (0.42) | RORCSMN1; SMN2ALDH1A1HTTNPC1 | |
| SCHEMBL20002926 | 0.76 | RORC (0.43) | RORCOPRL1 | |
| SCHEMBL20002400 | 0.76 | TACR3 (0.42) | RORCMMP13MMP2SMN1; SMN2ALDH1A1 | |
| SCHEMBL20002171 | 0.75 | KMT2A (0.38) | RORCSMN1; SMN2NPC1MAPTRAB9A |
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 |