Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 3/20 | 0.41 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.36 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.35 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.35 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | USP7 | Q93009 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9866752 | 0.82 | SLC2A1 (0.33) | LPAR3LPAR2L3MBTL1ALDH1A1SLC2A1 | |
| SCHEMBL5096539 | 0.81 | NR5A1 (0.54) | ALDH2MAOAMAOBESR1NR5A1 | |
| SCHEMBL9506242 | 0.81 | RARB (0.47) | NPC1RAB9ANR5A1L3MBTL1ALDH1A1 | |
| SCHEMBL8919072 | 0.80 | NR5A1 (0.57) | MEN1NPC1RAB9AKMT2AALDH2 | |
| SCHEMBL8034268 | 0.80 | NR5A1 (0.57) | MEN1NPC1RAB9AKMT2AALDH2 | |
| SCHEMBL9510068 | 0.80 | NR5A1 (0.57) | MEN1NPC1RAB9AKMT2AALDH2 | |
| SCHEMBL6950035 | 0.77 | TSHR (0.41) | L3MBTL1ALDH1A1 | |
| SCHEMBL6954941 | 0.77 | TSHR (0.41) | L3MBTL1ALDH1A1 | |
| SCHEMBL7880350 | 0.76 | ALDH2 (0.47) | NPC1RAB9AALDH2MAOAMAOB | |
| SCHEMBL2849938 | 0.76 | NR5A1 (0.59) | ALDH2MAOAMAOBESR1NR5A1 |
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-1993020068-A1 | CHIRAL OXIRANE DERIVATIVES AND THEIR USE AS DOPING AGENTS IN LIQUID CRYSTAL MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-10-14 | — | — | WO | disclosed |