Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 4/20 | 0.44 |
| ▸ | MAOB | P27338 | 4/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19608810 | 1.00 | AR (0.53) | ARALDH1A1CYP2A6MAOAMAOB | |
| SCHEMBL20739844 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP11B1CYP11B2KDM4ENPSR1 | |
| SCHEMBL18406716 | 0.83 | AR (0.62) | ARALDH1A1CYP2A6MAOAMAOB | |
| SCHEMBL19608728 | 0.81 | AR (0.56) | ARALDH1A1CYP2A6MAOAMAOB | |
| SCHEMBL19187208 | 0.78 | AR (0.53) | ARALDH1A1CYP2A6MAOAMAOB | |
| SCHEMBL3583094 | 0.78 | AR (0.53) | ARALDH1A1CYP2A6MAOAMAOB | |
| SCHEMBL26391841 | 0.77 | AR (0.61) | ARALDH1A1CYP2A6MAOAMAOB | |
| SCHEMBL8338719 | 0.77 | AR (0.61) | ARALDH1A1CYP2A6MAOAMAOB | |
| SCHEMBL11948728 | 0.76 | TSHR (0.40) | ARALDH1A1CYP2A6CYP11B1CYP11B2 | |
| SCHEMBL17051408 | 0.76 | ALDH1A1 (0.58) | ARALDH1A1CYP2A6ERBB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017194665-A1 | BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA | MERCK PATENT GMBH (DE) | 2017-11-16 | — | — | WO | disclosed |