Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.77 |
| ▸ | MC4R | P32245 | 2/20 | 0.57 |
| ▸ | MC5R | P33032 | 2/20 | 0.57 |
| ▸ | MC3R | P41968 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 4/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.55 |
| ▸ | PNMT | P11086 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9903568 | 0.93 | CHRM2 (0.77) | CHRM2MC4RMC5RCYP1A2CYP3A4 | |
| SCHEMBL11673587 | 0.89 | CHRM2 (0.89) | CHRM2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16151774 | 0.87 | MC4R (0.66) | CHRM2MC4RMC5RMC3RCYP1A2 | |
| SCHEMBL7774786 | 0.85 | CHRM2 (0.81) | CHRM2CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16260100 | 0.84 | CHRM2 (0.62) | CHRM2MC4RMC5RMC3RCYP1A2 | |
| SCHEMBL16136721 | 0.84 | MC4R (0.62) | CHRM2MC4RMC5RMC3RCYP1A2 | |
| SCHEMBL16152234 | 0.84 | MC4R (0.62) | CHRM2MC4RMC5RMC3RCYP1A2 | |
| SCHEMBL16152208 | 0.84 | CHRM2 (0.62) | CHRM2MC4RMC5RMC3RCYP1A2 | |
| SCHEMBL17770844 | 0.84 | CHRM2 (0.62) | CHRM2MC4RMC5RMC3RCYP1A2 | |
| SCHEMBL13975775 | 0.83 | CHRM2 (0.77) | CHRM2CYP1A2CYP3A4CYP2D6CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007117180-A1 | AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) | 2007-10-18 | — | — | WO | disclosed |
| US-4590272-A | INSECTICIDES, MITICIDES, NEMATOCIDES | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1986-05-20 | — | — | US | disclosed |
| EP-0136636-A2 | Nitromethylene-tetrahydropyrimidine derivatives, process for their preparation and insecticidal, miticidal, tickicidal, and nematicidal means | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1985-04-10 | — | — | EP | disclosed |