Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.41 |
| ▸ | HTR2C | P28335 | 5/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 5/20 | 0.39 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.37 |
| ▸ | MMP12 | P39900 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002813 | 0.86 | IDO1 (0.53) | RORCRIPK1IDO1NR3C2NR3C1 | |
| SCHEMBL18213802 | 0.84 | HTR2C (0.43) | RORCHTR2CSLC6A4HTR2ARIPK1 | |
| SCHEMBL16886255 | 0.83 | IDO1 (0.41) | RORCHTR2CSLC6A4HTR2ARIPK1 | |
| SCHEMBL12016019 | 0.74 | IDO1 (0.44) | HTR2CSLC6A4HTR2ARIPK1IDO1 | |
| SCHEMBL20002788 | 0.73 | RORC (0.36) | RORCRIPK1MMP2MMP12MMP1 | |
| SCHEMBL16886252 | 0.71 | IDO1 (0.51) | RORCRIPK1IDO1NR3C2NR3C1 | |
| SCHEMBL20002764 | 0.70 | NR3C1 (0.46) | RORCIDO1NR3C2NR3C1 | |
| SCHEMBL14763555 | 0.70 | CACNA1C (0.50) | HTR2CSLC6A4HTR2ARIPK1IDO1 | |
| SCHEMBL17217576 | 0.70 | HTR2C (0.40) | HTR2CSLC6A4HTR2ARIPK1IDO1 | |
| SCHEMBL13544214 | 0.70 | MMP2 (0.50) | HTR2CSLC6A4HTR2ARIPK1MMP2 |
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 |