Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | AHCY | P23526 | 1/20 | 0.34 |
| ▸ | GCGR | P47871 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8725635 | 0.81 | DRD3 (0.42) | DRD3NPY5RAHCYMTNR1AMTNR1B | |
| SCHEMBL11002326 | 0.79 | MAOA (0.40) | ALDH1A1MTNR1AMTNR1BHTR2CHTT | |
| SCHEMBL11006402 | 0.74 | ACE (0.44) | NPY5RAHCYGCGRPKM | |
| SCHEMBL6681845 | 0.72 | HSD11B1 (0.39) | DRD3NPY5RAHCY | |
| SCHEMBL9725898 | 0.72 | OPRD1 (0.39) | AHCY | |
| SCHEMBL8896234 | 0.71 | DRD3 (0.44) | DRD3ALDH1A1NPY5RCHRM1DRD2 | |
| Hydrochloric Acid SCHEMBL7634867 | 0.71 | OPRD1 (0.38) | AHCY | |
| Hydrochloric Acid SCHEMBL7634870 | 0.71 | OPRD1 (0.38) | AHCY | |
| SCHEMBL11005113 | 0.70 | ACE (0.47) | — | |
| SCHEMBL27280948 | 0.70 | AHCY (0.36) | AHCY |
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 |
|---|---|---|---|---|---|---|---|
| US-4521607-A | HYPOTENSIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-06-04 | — | — | US | disclosed |
| EP-0035868-A1 | Bicyclic compounds, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1981-09-16 | — | — | EP | disclosed |