Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13354219 | 0.91 | MCHR1 (0.44) | MCHR1LTA4HALDH1A1KCNH2DRD2 | |
| SCHEMBL2850149 | 0.91 | KCNH2 (0.52) | MCHR1ALDH1A1DRD4KCNH2DRD2 | |
| SCHEMBL13173232 | 0.90 | ALDH1A1 (0.52) | MCHR1ALDH1A1DRD4SIGMAR1MEN1 | |
| Bromide SCHEMBL2840704 | 0.90 | KCNH2 (0.51) | MCHR1ALDH1A1DRD4KCNH2DRD2 | |
| Hydrochloric Acid SCHEMBL2841731 | 0.90 | KCNH2 (0.51) | MCHR1ALDH1A1DRD4KCNH2DRD2 | |
| Hydrochloric Acid SCHEMBL2848182 | 0.89 | ALDH1A1 (0.52) | MCHR1ALDH1A1DRD4SIGMAR1MEN1 | |
| SCHEMBL2849321 | 0.89 | KCNH2 (0.50) | MCHR1ALDH1A1HTTDRD4KCNH2 | |
| Maleic Acid SCHEMBL2845354 | 0.86 | SIGMAR1 (0.55) | ALDH1A1DRD4KCNH2DRD2HTR2A | |
| SCHEMBL3155541 | 0.86 | KMT2A (0.46) | LTA4HALDH1A1DRD4KCNH2SIGMAR1 | |
| Fumaric Acid SCHEMBL2845369 | 0.86 | SIGMAR1 (0.55) | ALDH1A1DRD4KCNH2DRD2HTR2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2679586-A1 | Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same | Daiichi Sankyo Company, Limited (JP) | 2014-01-01 | — | — | EP | disclosed |