Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 20/20 | 0.73 |
| ▸ | TPH2 | Q8IWU9 | 11/20 | 0.73 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.61 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.61 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.61 |
| ▸ | CCKAR | P32238 | 2/20 | 0.61 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.61 |
| ▸ | F2 | P00734 | 1/20 | 0.61 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | DRD1 | P21728 | 1/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.61 |
| ▸ | DRD3 | P35462 | 1/20 | 0.61 |
| ▸ | MLNR | O43193 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.52 |
| ▸ | MC3R | P41968 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL2928898 | 1.00 | TPH1 (0.73) | TPH1TPH2ADORA3SLC6A2AGTR1 | |
| Water SCHEMBL1932957 | 0.91 | TPH1 (0.63) | TPH1TPH2ADORA3SLC6A2AGTR1 | |
| Water SCHEMBL1932960 | 0.91 | TPH1 (0.63) | TPH1TPH2ADORA3SLC6A2AGTR1 | |
| SCHEMBL871795 | 0.89 | TPH1 (0.71) | TPH1TPH2ADORA3SLC6A2AGTR1 | |
| SCHEMBL27747382 | 0.89 | TPH1 (0.71) | TPH1TPH2ADORA3SLC6A2AGTR1 | |
| SCHEMBL15955840 | 0.89 | TPH1 (0.75) | TPH1TPH2ADORA3SLC6A2AGTR1 | |
| SCHEMBL869835 | 0.86 | TPH1 (0.81) | TPH1TPH2ADORA3SLC6A2AGTR1 | |
| Water SCHEMBL1932958 | 0.86 | TPH1 (0.57) | TPH1TPH2ADORA3SLC6A2AGTR1 | |
| SCHEMBL870564 | 0.85 | TPH1 (0.72) | TPH1TPH2ADORA3SLC6A2AGTR1 | |
| SCHEMBL27726658 | 0.85 | TPH1 (0.72) | TPH1TPH2ADORA3SLC6A2AGTR1 |
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-2231618-A1 | SOLID FORMS OF (S)-2-AMINO-3-(4-(2-AMINO-6-((R)-2,2,2-TRIFLUORO-1-(3'-METHOXYBIPHENYL-4-YL)ETHOXY)PYRIMIDIN-4-YL)PHENYL)PROPANOIC ACID AND METHODS OF THEIR USE | Lexicon Pharmaceuticals, Inc. (US) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009048864-A1 | SOLID FORMS OF (S)-2-AMINO-3-(4-(2-AMINO-6-((R)-2,2,2-TRIFLUORO-1-(3'-METHOXYBIPHENYL-4-YL)ETHOXY)PYRIMIDIN-4-YL)PHENYL)PROPANOIC ACID AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS, INC. (US) | 2009-04-16 | — | — | WO | disclosed |