Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.36 |
| ▸ | MAOB | P27338 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | DRD1 | P21728 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22450601 | 0.84 | MAOA (0.36) | MAOAMAOBDRD2DRD1DRD3 | |
| SCHEMBL14231870 | 0.83 | — | — | |
| SCHEMBL15932773 | 0.82 | MAOA (0.38) | MAOAMAOBDRD2DRD1DRD3 | |
| SCHEMBL25059521 | 0.77 | SIGMAR1 (0.41) | DRD2DRD3DRD4SIGMAR1ALDH1A1 | |
| SCHEMBL8342845 | 0.72 | MAOA (0.36) | MAOAMAOBDRD2DRD1DRD3 | |
| SCHEMBL19112495 | 0.71 | MAOA (0.39) | MAOAMAOBDRD2DRD1DRD3 | |
| SCHEMBL12712111 | 0.69 | MAOA (0.38) | MAOAMAOBDRD2DRD1DRD3 | |
| SCHEMBL27305448 | 0.69 | MAOA (0.34) | MAOAMAOBDRD2DRD1DRD3 | |
| SCHEMBL19932911 | 0.68 | MAOA (0.36) | MAOAMAOBDRD2DRD1DRD3 | |
| SCHEMBL17968444 | 0.68 | — | — |
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-3127554-A1 | MEDICINE FOR SUPPRESSING MALIGNANT TUMOR METASTASIS | National Cerebral and Cardiovascular Center (JP) | 2017-02-08 | — | — | EP | disclosed |
| EP-1448523-B1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | NOVARTIS AG (CH) | 2007-08-22 | — | — | EP | disclosed |