Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 2/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16852389 | 0.87 | PTGS2 (0.49) | PTGS2PTGS1CD274CYP17A1AR | |
| SCHEMBL16852378 | 0.86 | NAAA (0.43) | PTGS2PTGS1CD274PDCD1NAAA | |
| SCHEMBL10303309 | 0.84 | TDP2 (0.49) | PTGS2PTGS1CYP17A1PRKCZTDP2 | |
| SCHEMBL16852366 | 0.84 | GABRA1 (0.45) | PTGS2PTGS1CD274CYP17A1PRKCZ | |
| SCHEMBL16852433 | 0.83 | GABRA1 (0.38) | PTGS2PTGS1CD274PDCD1NAAA | |
| SCHEMBL16856037 | 0.82 | PTGS2 (0.53) | PTGS2PTGS1CD274CYP17A1AR | |
| SCHEMBL16852434 | 0.82 | S1PR1 (0.41) | PTGS2PTGS1MGLL | |
| SCHEMBL12735652 | 0.82 | CYP17A1 (0.47) | PTGS2PTGS1CYP17A1TDP2NAAA | |
| SCHEMBL16852398 | 0.82 | MGLL (0.46) | PTGS2PTGS1CD274CYP17A1PRKCZ | |
| SCHEMBL16852414 | 0.81 | THRA (0.42) | PTGS2PTGS1MGLL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9951274-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2018-04-24 | — | — | US | disclosed |
| US-20150175884-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | US | disclosed |