Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 6/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | STK17A | Q9UEE5 | 6/20 | 0.33 |
| ▸ | STK17B | O94768 | 3/20 | 0.32 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.32 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | MC5R | P33032 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | OXTR | P30559 | 1/20 | 0.31 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10863825 | 0.83 | SIGMAR1 (0.37) | CHRM2STK17ASTK17BSIGMAR1MC4R | |
| SCHEMBL10483889 | 0.78 | PDCD1 (0.34) | PDCD1CD274NOS3NOS1NOS2 | |
| SCHEMBL10483870 | 0.77 | CHRM2 (0.38) | CHRM2STK17ASTK17BMC4RMC5R | |
| SCHEMBL24250694 | 0.77 | NOS3 (0.42) | NOS3NOS1NOS2CYP1A2CYP3A4 | |
| SCHEMBL10863877 | 0.74 | MC4R (0.38) | CHRM2STK17ASCN8ASIGMAR1MC4R | |
| SCHEMBL11232723 | 0.73 | CHRM2 (0.40) | PDCD1CD274CHRM2SCN8ACARM1 | |
| SCHEMBL7992424 | 0.73 | SIRT6 (0.36) | CHRM2SIGMAR1MC4RMC5R | |
| SCHEMBL10483851 | 0.71 | CHRM2 (0.33) | PDCD1CD274CHRM2SIGMAR1MC4R | |
| SCHEMBL13547520 | 0.71 | NOS3 (0.59) | NOS3NOS1NOS2 | |
| SCHEMBL7996292 | 0.71 | NOS3 (0.39) | NOS3NOS1NOS2CYP3A4 |
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 |