Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL28847999 | 0.89 | SLC6A2 (0.37) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| SCHEMBL28444287 | 0.84 | SLC6A2 (0.35) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| SCHEMBL1048931 | 0.82 | SLC6A4 (0.40) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| SCHEMBL28904441 | 0.79 | HTR2A (0.37) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| SCHEMBL8059750 | 0.78 | SLC6A2 (0.39) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| SCHEMBL27987174 | 0.78 | SLC6A2 (0.39) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| SCHEMBL4201460 | 0.77 | SLC6A2 (0.37) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| SCHEMBL5934029 | 0.77 | SLC6A2 (0.31) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| SCHEMBL4682678 | 0.76 | ADRB2 (0.36) | HTR2ASLC6A4SLC6A2HTR2BSLC6A3 | |
| SCHEMBL16091018 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5254682-A | Treating hypertension, hyperaldosteronism, congestive heart failure; glaucoma | MERCK & CO., INC. (US) | 1993-10-19 | — | — | US | disclosed |
| EP-0518672-A2 | Cyclic renin inhibitors | MERCK & CO. INC. (US) | 1992-12-16 | — | — | EP | disclosed |
| EP-0432974-A1 | Cyclic renin inhibitors | MERCK & CO. INC. (US) | 1991-06-19 | — | — | EP | disclosed |