Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.39 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.39 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.39 |
| ▸ | ME2 | P23368 | 1/20 | 0.39 |
| ▸ | ME1 | P48163 | 1/20 | 0.39 |
| ▸ | ME3 | Q16798 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002912 | 0.90 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1POLBKDM1AKMT2A | |
| SCHEMBL20002218 | 0.85 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1RORCPOLBPKM | |
| SCHEMBL20002209 | 0.85 | SMN1; SMN2 (0.47) | SMN1; SMN2ALDH1A1RORCPOLBPKM | |
| SCHEMBL20003082 | 0.82 | SMN1; SMN2 (0.44) | SMN1; SMN2ALDH1A1RORCPOLBPKM | |
| SCHEMBL20003187 | 0.80 | RORC (0.43) | SMN1; SMN2ALDH1A1RORCPOLBPKM | |
| SCHEMBL19702977 | 0.76 | SMN1; SMN2 (0.53) | SMN1; SMN2ALDH1A1POLBKMT2AL3MBTL1 | |
| SCHEMBL20002918 | 0.75 | PKM (0.47) | SMN1; SMN2ALDH1A1RORCPOLBKMT2A | |
| SCHEMBL20002495 | 0.74 | RORC (0.40) | SMN1; SMN2ALDH1A1RORCKMT2APKM | |
| SCHEMBL20002981 | 0.73 | KDM4E (0.55) | SMN1; SMN2ALDH1A1POLBKMT2ALMNA | |
| SCHEMBL20002870 | 0.73 | PDK2 (0.38) | SMN1; SMN2ALDH1A1RORCKMT2ALMNA |
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 |