Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP7 | P09237 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL20002280 | 0.90 | TACR1 (0.40) | AKR1C3RORCPKM | |
| SCHEMBL20002664 | 0.87 | TSHR (0.41) | SMN1; SMN2NPC1LMNARAB9AAKR1C3 | |
| SCHEMBL20003049 | 0.85 | AKR1C3 (0.51) | SMN1; SMN2HTTEPHX2ALDH1A1NPC1 | |
| SCHEMBL20002669 | 0.85 | NOTUM (0.45) | SMN1; SMN2ALDH1A1LMNARAB9AAKR1C3 | |
| SCHEMBL20002969 | 0.85 | NOTUM (0.45) | SMN1; SMN2ALDH1A1LMNARAB9AAKR1C3 | |
| SCHEMBL20003029 | 0.85 | RORC (0.41) | KDM1ARORC | |
| SCHEMBL20002631 | 0.84 | HSD11B1 (0.33) | SMN1; SMN2ALDH1A1NPC1LMNARAB9A | |
| SCHEMBL20002564 | 0.84 | NAMPT (0.41) | SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL20002957 | 0.83 | NOTUM (0.48) | SMN1; SMN2EPHX2ALDH1A1LMNAAKR1C3 | |
| SCHEMBL20002958 | 0.83 | NOTUM (0.48) | SMN1; SMN2EPHX2ALDH1A1LMNAAKR1C3 |
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 |