Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11507654 | 0.83 | KMT2A (0.46) | MEN1KMT2AMAOAMAOBMAPK14 | |
| SCHEMBL11689840 | 0.75 | KMT2A (0.44) | MEN1KMT2AMAOAMAOBMAPT | |
| Ethylene Glycol SCHEMBL11585117 | 0.75 | MAOA (0.58) | MEN1KMT2AMAOAMAOBMAPK14 | |
| SCHEMBL10204685 | 0.74 | RAB9A (0.63) | MEN1KMT2AMAOAMAOBMAPT | |
| SCHEMBL10452432 | 0.73 | MAPK14 (0.43) | MEN1KMT2AMAOAMAOBMAPK14 | |
| SCHEMBL11690005 | 0.73 | KMT2A (0.46) | MEN1KMT2AMAOAMAOBMAPT | |
| SCHEMBL11696637 | 0.72 | KMT2A (0.44) | MEN1KMT2AMAOAMAOBMAPT | |
| SCHEMBL11493725 | 0.72 | KMT2A (0.44) | MEN1KMT2AMAOAMAOBMAPK14 | |
| SCHEMBL11546454 | 0.72 | MAPK14 (0.38) | MAOAMAOBMAPK14CYP3A4PPARA | |
| SCHEMBL11486521 | 0.71 | KMT2A (0.47) | MEN1KMT2AMAOAMAOBMAPT |
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-4136200-A | PHENYLBUTANOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-01-23 | — | — | US | disclosed |
| US-4049823-A | Phenylbutanol derivatives and compositions containing them | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-20 | — | — | US | disclosed |