Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21824778 | 0.85 | MAOA (0.51) | MAOAMAOBDDB1CRBNEPHX2 | |
| SCHEMBL21825012 | 0.85 | MAOA (0.51) | MAOAMAOBDDB1CRBNEPHX2 | |
| SCHEMBL20002297 | 0.84 | NOTUM (0.47) | NOTUMAKR1C3HSD11B1ITGB3ITGA2B | |
| SCHEMBL20003024 | 0.77 | NOTUM (0.44) | NOTUMAKR1C3EPHX2HSD11B1KMT2A | |
| SCHEMBL24117778 | 0.76 | GPR119 (0.56) | MAOAMAOBKMT2AMAPTALDH1A1 | |
| SCHEMBL21824803 | 0.76 | GPR119 (0.56) | MAOAMAOBKMT2AMAPTALDH1A1 | |
| SCHEMBL21887032 | 0.76 | GPR119 (0.56) | MAOAMAOBKMT2AMAPTALDH1A1 | |
| SCHEMBL21887036 | 0.71 | MAOA (0.57) | MAOAMAOBDDB1CRBNRAB9A | |
| SCHEMBL20002879 | 0.70 | NPC1 (0.44) | KMT2AL3MBTL1RAB9AALDH1A1 | |
| SCHEMBL7962518 | 0.69 | NAMPT (0.57) | MAPTALDH1A1 |
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 |