Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARD | Q03181 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 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 | |
|---|---|---|---|---|
| SCHEMBL3805722 | 0.85 | MTNR1A (0.51) | PPARAPPARGPPARDMTNR1BMTNR1A | |
| SCHEMBL17674375 | 0.84 | ALDH1A1 (0.45) | ALDH1A1KMT2A | |
| SCHEMBL19201253 | 0.84 | PPARA (0.44) | PPARAPPARGPPARDMTNR1BMTNR1A | |
| SCHEMBL3418906 | 0.79 | CCR5 (0.64) | ALDH1A1KMT2ACCR5PTGER1LMNA | |
| SCHEMBL13191491 | 0.78 | PPARA (0.48) | PPARAPPARGPPARDKMT2AHDAC1 | |
| SCHEMBL25079221 | 0.78 | HDAC1 (0.60) | PPARAHDAC1 | |
| SCHEMBL192397 | 0.78 | APLNR (0.56) | ALDH1A1 | |
| SCHEMBL30101842 | 0.77 | CCR5 (0.47) | LRRK2ALDH1A1KMT2ACCR5SMPD1 | |
| SCHEMBL3413974 | 0.77 | ALDH1A1 (0.54) | ALDH1A1KMT2ALMNAPLA2G1BATG4B | |
| SCHEMBL13191484 | 0.77 | CNR1 (0.49) | MTNR1BMTNR1AALDH1A1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3939974-A1 | MODULATORS OF ROR-GAMMA | Vitae Pharmaceuticals, LLC (US) | 2022-01-19 | — | — | EP | disclosed |
| EP-3408268-B1 | BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA | VITAE PHARMACEUTICALS LLC (US) | 2021-08-04 | — | — | EP | disclosed |
| WO-2017132432-A1 | BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA | VITAE PHARMACEUTICALS, INC. (US) | 2017-08-03 | — | — | WO | disclosed |