Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC4R | P32245 | 2/20 | 0.47 |
| ▸ | MC5R | P33032 | 2/20 | 0.47 |
| ▸ | MC3R | P41968 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.35 |
| ▸ | LOX | P28300 | 2/20 | 0.35 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25305601 | 0.85 | SLC2A4 (0.42) | ROCK1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL15104768 | 0.83 | CYP1A2 (0.43) | ROCK1CYP1A2CYP2D6CYP2C19PDCD1 | |
| SCHEMBL10483974 | 0.79 | LOX (0.59) | MC4RMC5RMC3RROCK1ROCK2 | |
| SCHEMBL10484031 | 0.79 | MC4R (0.47) | MC4RMC5RMC3RROCK1ROCK2 | |
| SCHEMBL10483895 | 0.79 | LOXL2 (0.59) | MC4RMC5RMC3RROCK1ROCK2 | |
| SCHEMBL15104514 | 0.79 | PDGFRB (0.37) | ROCK1ROCK2KCNH2CYP1A2CYP2D6 | |
| SCHEMBL15104527 | 0.79 | L3MBTL1 (0.45) | ROCK1PDCD1CD274LOXL2LOX | |
| SCHEMBL10483853 | 0.78 | MC4R (0.49) | MC4RMC5RMC3RCYP1A2CYP2D6 | |
| SCHEMBL1419550 | 0.77 | HRH1 (0.46) | CYP1A2CYP2D6CYP2C19LOXL2LOX | |
| SCHEMBL16635231 | 0.76 | LOXL2 (0.50) | CYP2D6LOXL2LOXLOXL3HTR2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4812571-A | NITROMETHYLENE COMPOUNDS | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-03-14 | — | — | US | disclosed |
| US-4774247-A | Nitromethylene derivative insecticides | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1988-09-27 | — | — | US | disclosed |
| US-4678795-A | 1-pyridylmethyl-2-nitromethylene-1,3-diazacycloalkane insecticides | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1987-07-07 | — | — | US | disclosed |
| EP-0192060-A1 | Heterocyclic compounds | NIHON BAYER AGROCHEM K.K. (JP) | 1986-08-27 | — | — | EP | disclosed |
| EP-0163855-A1 | Nitromethylene derivatives, intermediates, and process for their preparation as insecticides | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1985-12-11 | — | — | EP | disclosed |