Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | NPY1R | P25929 | 5/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | PADI4 | Q9UM07 | 6/20 | 0.32 |
| ▸ | PADI1 | Q9ULC6 | 5/20 | 0.32 |
| ▸ | PADI2 | Q9Y2J8 | 3/20 | 0.32 |
| ▸ | PADI3 | Q9ULW8 | 4/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | GNRHR | P30968 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9269121 | 1.00 | HTR2A (0.33) | HTR2AHRH1NPY1RCA12CA1 | |
| SCHEMBL8526214 | 0.79 | HTR2A (0.35) | HTR2AHRH1 | |
| SCHEMBL8526317 | 0.72 | HTR2A (0.35) | HTR2AHRH1 | |
| SCHEMBL9199436 | 0.72 | HTR2A (0.35) | HTR2AHRH1 | |
| SCHEMBL9202601 | 0.72 | HTR2A (0.35) | HTR2AHRH1 | |
| SCHEMBL9199405 | 0.72 | HTR2A (0.35) | HTR2AHRH1 | |
| Trifluoroacetic Acid SCHEMBL9200975 | 0.72 | EPOR (0.37) | CA12CA1CA9CA2 | |
| SCHEMBL8121876 | 0.70 | F2 (0.37) | NPY1R | |
| SCHEMBL8128053 | 0.69 | F2 (0.42) | NPY1R | |
| SCHEMBL9196848 | 0.69 | EPOR (0.32) | — |
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-0680469-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | Dr. Karl Thomae GmbH (DE) | 1995-11-08 | — | — | EP | disclosed |
| WO-1994017035-A1 | AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME | DR. KARL THOMAE GMBH (DE) | 1994-08-04 | — | — | WO | disclosed |