Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 3/20 | 0.45 |
| ▸ | PPARA | Q07869 | 3/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.44 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.44 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.44 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.44 |
| ▸ | LPL | P06858 | 1/20 | 0.43 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | CTRC | Q99895 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7451380 | 0.98 | MAOB (0.59) | MAOBKDM4EALDH1A1POLBGAA | |
| SCHEMBL10379969 | 0.92 | CTRC (0.52) | MAOBKDM4EALDH1A1POLBGAA | |
| SCHEMBL91196 | 0.91 | KDM4E (0.62) | MAOBKDM4EALDH1A1POLBGAA | |
| Ammonia Solution, Strong SCHEMBL3791051 | 0.88 | KDM4E (0.60) | MAOBKDM4EALDH1A1POLBGAA | |
| SCHEMBL8990779 | 0.87 | CTRC (0.55) | MAOBALDH1A1KCNH2CTRC | |
| SCHEMBL8990607 | 0.86 | MAOB (0.57) | MAOBKDM4EALDH1A1POLBGAA | |
| Hydrochloric Acid SCHEMBL6192998 | 0.86 | KDM4E (0.58) | MAOBKDM4EALDH1A1POLBGAA | |
| SCHEMBL8990662 | 0.85 | KCNH2 (0.62) | MAOBKDM4EALDH1A1KCNH2LPL | |
| SCHEMBL4802707 | 0.85 | LPL (0.54) | LPLLIPGMCL1 | |
| SCHEMBL11162288 | 0.84 | KDM4E (0.56) | MAOBKDM4EALDH1A1POLBGAA |
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-5496499-A | Biphenylethanes and liquid-crystalline phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-03-05 | — | — | US | disclosed |
| EP-0429558-B1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK PATENT GMBH (DE) | 1994-03-30 | — | — | EP | disclosed |