Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.30 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18213529 | 1.00 | MAPK1 (0.41) | MAPK1THRBHRH3NFKB1NFKB2 | |
| SCHEMBL18926524 | 1.00 | MAPK1 (0.41) | MAPK1THRBHRH3NFKB1NFKB2 | |
| SCHEMBL2017833 | 0.84 | THRB (0.44) | THRBALDH1A1CHRM2CHRM3 | |
| SCHEMBL2509181 | 0.84 | THRB (0.44) | THRBALDH1A1CHRM2CHRM3 | |
| SCHEMBL2509180 | 0.84 | THRB (0.44) | THRBALDH1A1CHRM2CHRM3 | |
| SCHEMBL2504166 | 0.79 | MAPT (0.40) | THRBALDH1A1KMT2AGAA | |
| SCHEMBL22728078 | 0.79 | MAPT (0.40) | THRBALDH1A1KMT2AGAA | |
| SCHEMBL17057064 | 0.79 | MAPT (0.40) | THRBALDH1A1KMT2AGAA | |
| SCHEMBL2504165 | 0.79 | MAPT (0.40) | THRBALDH1A1KMT2AGAA | |
| SCHEMBL18810302 | 0.79 | MAPT (0.40) | THRBALDH1A1KMT2AGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3541786-B1 | TRICYCLIC SULFONES AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |
| WO-2018089402-A1 | TRICYCLIC SULFONES AS ROR GAMMA MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |