Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 5/20 | 0.81 |
| ▸ | DRD2 | P14416 | 1/20 | 0.81 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.80 |
| ▸ | MEN1 | O00255 | 1/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.78 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.78 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.78 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.78 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.71 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.69 |
| ▸ | SLC6A13 | Q9NSD5 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL62082 | 0.98 | SLC6A5 (0.81) | DRD4DRD2SLC6A5MEN1KMT2A | |
| SCHEMBL8712569 | 0.90 | DRD4 (1.00) | DRD4DRD2SLC6A5CHRM4 | |
| SCHEMBL61848 | 0.89 | TMEM97 (0.83) | DRD4DRD2MEN1KMT2ASIGMAR1 | |
| SCHEMBL694949 | 0.88 | SIGMAR1 (0.82) | DRD4DRD2MEN1KMT2ASIGMAR1 | |
| SCHEMBL1425074 | 0.88 | SIGMAR1 (1.00) | DRD4DRD2MEN1KMT2ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL9785680 | 0.86 | SIGMAR1 (0.97) | DRD4DRD2MEN1KMT2ASIGMAR1 | |
| SCHEMBL2233466 | 0.86 | KCNH2 (0.80) | DRD4DRD2MEN1KMT2ASIGMAR1 | |
| SCHEMBL7218186 | 0.86 | DRD4 (0.86) | DRD4DRD2MEN1KMT2ASIGMAR1 | |
| SCHEMBL3731091 | 0.86 | DRD4 (0.68) | DRD4DRD2SLC6A5MEN1KMT2A | |
| SCHEMBL1077166 | 0.85 | DRD4 (0.68) | DRD4DRD2SLC6A5MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1322612-A1 | SUBSTITUTED AMINO-AZA-CYCLOALKANES USEFUL AGAINST MALARIA | Actelion Pharmaceuticals Ltd. (CH) | 2003-07-02 | — | — | EP | disclosed |
| WO-2002024649-A1 | SUBSTITUTED AMINO-AZA-CYCLOALKANES USEFUL AGAINST MALARIA | ACTELION PHARMACEUTICALS LTD (CH) | 2002-03-28 | — | — | WO | disclosed |