Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 7/20 | 0.54 |
| ▸ | DRD4 | P21917 | 6/20 | 0.51 |
| ▸ | DRD5 | P21918 | 5/20 | 0.51 |
| ▸ | DRD2 | P14416 | 5/20 | 0.51 |
| ▸ | DRD3 | P35462 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL7847887 | 0.95 | KDM4E (0.55) | TMEM97SIGMAR1KDM4EDRD1DRD4 | |
| SCHEMBL7838664 | 0.85 | KDM4E (0.56) | KDM4EDRD1DRD4DRD5DRD2 | |
| SCHEMBL7846886 | 0.82 | SLC6A5 (0.53) | TMEM97SIGMAR1DRD1DRD4DRD5 | |
| Hydrochloric Acid SCHEMBL7838260 | 0.80 | HRH3 (0.50) | DRD4DRD2HRH3CYP2C19KMT2A | |
| SCHEMBL16624051 | 0.79 | HRH3 (0.66) | TMEM97SIGMAR1DRD1DRD4DRD5 | |
| SCHEMBL7837933 | 0.79 | HRH3 (0.48) | MAPTHRH3CYP2C19MEN1KMT2A | |
| SCHEMBL7838710 | 0.78 | SLC6A5 (0.53) | SIGMAR1DRD1DRD4DRD5DRD2 | |
| Hydrochloric Acid SCHEMBL7847077 | 0.76 | ACHE (0.47) | DRD4DRD2MAPTHRH3CYP2C19 | |
| SCHEMBL7847191 | 0.75 | ALDH1A1 (0.46) | KDM4EHRH3CYP2C19POLBMEN1 | |
| Hydrochloric Acid SCHEMBL7849518 | 0.75 | ALDH1A1 (0.45) | KDM4EHRH3CYP2C19POLBMEN1 |
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-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |