Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | CTRC | Q99895 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14525750 | 0.94 | MAOB (0.45) | MAOBKDM4EALDH1A1POLBGAA | |
| SCHEMBL9664336 | 0.92 | ALOX5 (0.41) | MAOBNPC1TP53PKMRAB9A | |
| SCHEMBL8990815 | 0.90 | RARB (0.48) | MAOBALDH1A1HSD17B10PPARAHTR2A | |
| SCHEMBL9664848 | 0.88 | TAAR1 (0.40) | MAOBNPC1TP53PKMRAB9A | |
| SCHEMBL8990636 | 0.88 | MAOB (0.47) | MAOBALDH1A1GAANPC1TP53 | |
| SCHEMBL9664166 | 0.86 | RARB (0.46) | ALDH1A1HSD17B10HTR2AALOX5RARB | |
| SCHEMBL10379977 | 0.86 | MAOB (0.46) | MAOBKDM4EALDH1A1POLBGAA | |
| SCHEMBL9664954 | 0.85 | RARB (0.47) | MAOBNPC1TP53PKMRAB9A | |
| SCHEMBL9663375 | 0.85 | RARB (0.51) | KDM4EALDH1A1TP53HSD17B10HTR2A | |
| SCHEMBL8453680 | 0.84 | MAOB (0.40) | 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 |