Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | BTK | Q06187 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002280 | 0.84 | TACR1 (0.40) | RORC | |
| SCHEMBL20149113 | 0.76 | RORC (0.39) | ALDH1A1RORCMEN1KMT2A | |
| SCHEMBL20002167 | 0.74 | KDM1A (0.40) | ALDH1A1MMP9NPC1RAB9ALMNA | |
| SCHEMBL20002664 | 0.74 | TSHR (0.41) | MAPK1NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL20002969 | 0.72 | NOTUM (0.45) | ALDH1A1RAB9ALMNASMN1; SMN2RORC | |
| SCHEMBL20002669 | 0.72 | NOTUM (0.45) | ALDH1A1RAB9ALMNASMN1; SMN2RORC | |
| SCHEMBL20002286 | 0.71 | TACR1 (0.45) | RORC | |
| SCHEMBL20002429 | 0.70 | RORC (0.41) | SMN1; SMN2RORC | |
| SCHEMBL20002958 | 0.70 | NOTUM (0.48) | ALDH1A1LMNASMN1; SMN2RORCKMT2A | |
| SCHEMBL20003049 | 0.70 | AKR1C3 (0.51) | ALDH1A1NPC1LMNASMN1; SMN2HTT |
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 |