Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 11/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 8/20 | 0.48 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.47 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.47 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.47 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.47 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.47 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | MMP13 | P45452 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28111260 | 0.98 | RORC (0.49) | RORCNR1I2PSEN1PSEN2APH1B | |
| SCHEMBL28110706 | 0.76 | RORC (0.49) | RORCNR1I2PSEN1PSEN2APH1B | |
| SCHEMBL16880400 | 0.75 | PHGDH (0.51) | RORCNR1I2PTGS2ALDH1A1 | |
| SCHEMBL28111319 | 0.72 | PTGS2 (0.47) | RORCNR1I2PSEN1PSEN2APH1B | |
| SCHEMBL13822796 | 0.70 | ALDH1A1 (0.56) | RORCNR1I2ALDH1A1MMP1MMP13 | |
| SCHEMBL13676623 | 0.70 | PSEN1 (0.86) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL29832096 | 0.70 | GAA (0.57) | RORCPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8643204 | 0.69 | RORC (0.41) | RORCNR1I2PSEN1PSEN2APH1B | |
| SCHEMBL13896735 | 0.69 | ALDH1A1 (0.58) | RORCNR1I2PTGS2ALDH1A1MMP1 | |
| SCHEMBL16232174 | 0.69 | ALDH1A1 (0.55) | RORCNR1I2PSEN1PSEN2APH1B |
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 |
|---|---|---|---|---|---|---|---|
| CN-106061947-B | Cyclohexyl sulfone ROR gamma modulators | 百时美施贵宝公司 | 2019-12-03 | — | — | CN | disclosed |