Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR5A | P47898 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16606308 | 0.77 | CYP1A2 (0.74) | HTR5ACHRM2CYP1A2CYP2D6HTR2A | |
| SCHEMBL16606311 | 0.75 | CYP1A2 (0.63) | HTR5ACHRM2CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL1238008 | 0.73 | CYP1A2 (0.61) | HTR5ACHRM2CYP1A2CYP2D6HTR2A | |
| SCHEMBL7235869 | 0.71 | CYP1A2 (0.69) | CHRM2CYP1A2CYP2D6ALDH1A1GAA | |
| SCHEMBL7703948 | 0.71 | MEN1 (0.45) | CHRM2GAAMAPTMEN1KMT2A | |
| SCHEMBL9957788 | 0.71 | FDPS (0.39) | CYP1A2CYP2D6CHRNA7ALDH1A1KDM4E | |
| SCHEMBL1238227 | 0.70 | HTT (0.76) | HTR5ACHRM2CYP1A2CYP2D6HTR2A | |
| Hydrochloric Acid SCHEMBL30115033 | 0.70 | CYP1A2 (0.67) | CHRM2CYP1A2CYP2D6ALDH1A1GAA | |
| SCHEMBL27569236 | 0.70 | CYP1A2 (0.56) | HTR5ACHRM2CYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL10282657 | 0.70 | TDP1 (0.58) | HTR5ACHRM2CYP1A2CYP2D6CHRNA7 |
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-2467364-A2 | NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION | Otsuka Pharmaceutical Co., Ltd. (JP) | 2012-06-27 | — | — | EP | disclosed |