Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.47 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | RXRA | P19793 | 2/20 | 0.41 |
| ▸ | RXRB | P28702 | 2/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GCGR | P47871 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 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 | |
|---|---|---|---|---|
| SCHEMBL21020527 | 0.86 | CHKA (0.46) | CYP17A1CYP11B1CYP21A2LMNATAAR1 | |
| SCHEMBL8990679 | 0.85 | CYP17A1 (0.56) | CYP17A1CYP11B1CYP21A2LMNATAAR1 | |
| SCHEMBL3158255 | 0.85 | CYP1A2 (0.50) | CYP17A1CYP11B1CYP21A2TAAR1RXRA | |
| SCHEMBL145807 | 0.83 | LMNA (0.64) | LMNATAAR1L3MBTL1GCGRMAPK14 | |
| SCHEMBL21021903 | 0.83 | CYP17A1 (0.39) | CYP17A1CYP11B1CYP21A2LMNATAAR1 | |
| SCHEMBL18156633 | 0.83 | PDE3B (0.43) | CYP17A1CYP11B1CYP21A2LMNATAAR1 | |
| SCHEMBL19423242 | 0.83 | RXRA (0.48) | TAAR1RXRARXRBEGFRUCHL1 | |
| SCHEMBL714257 | 0.83 | CYP17A1 (0.53) | CYP17A1CYP11B1CYP21A2TAAR1RXRA | |
| SCHEMBL3159151 | 0.82 | CYP1A2 (0.52) | CYP17A1CYP11B1CYP21A2LMNATAAR1 | |
| SCHEMBL16603396 | 0.81 | CYP17A1 (0.53) | CYP17A1CYP11B1CYP21A2TAAR1RXRA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3455328-B1 | BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA | MERCK PATENT GMBH (DE) | 2020-03-04 | — | — | EP | disclosed |
| WO-2017194665-A1 | BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA | MERCK PATENT GMBH (DE) | 2017-11-16 | — | — | WO | disclosed |