Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPH1 | P17752 | 19/20 | 0.56 |
| ▸ | TPH2 | Q8IWU9 | 10/20 | 0.56 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | CCKAR | P32238 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1746186 | 0.87 | TPH1 (0.59) | TPH1TPH2F2ESR1ADORA3 | |
| SCHEMBL870064 | 0.86 | TPH1 (0.76) | TPH1TPH2F2ESR1ADORA3 | |
| SCHEMBL869220 | 0.83 | TPH1 (0.56) | TPH1TPH2F2ESR1ADORA3 | |
| SCHEMBL871665 | 0.79 | TPH1 (0.75) | TPH1TPH2 | |
| SCHEMBL869257 | 0.78 | TPH1 (0.75) | TPH1TPH2F2ESR1ADORA3 | |
| SCHEMBL22550980 | 0.78 | TPH1 (0.75) | TPH1TPH2F2ESR1ADORA3 | |
| SCHEMBL870552 | 0.78 | TPH1 (0.69) | TPH1TPH2 | |
| SCHEMBL870025 | 0.76 | TPH1 (0.71) | TPH1TPH2F2ESR1ADORA3 | |
| SCHEMBL14967333 | 0.75 | TPH1 (0.69) | TPH1TPH2F2ESR1ADORA3 | |
| SCHEMBL14967328 | 0.75 | TPH1 (0.69) | TPH1TPH2F2ESR1ADORA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2009522265-A | — | — | 2009-06-11 | — | — | JP | claimed |
| EP-1984344-A2 | MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE | Lexicon Pharmaceuticals, Inc. (US) | 2008-10-29 | — | — | EP | claimed |
| WO-2007089335-A2 | MULTICYCLIC AMINO ACID DERIVATIVES AND METHODS OF THEIR USE | LEXICON PHARMACEUTICAL INC. (US) | 2007-08-09 | — | — | WO | claimed |
| WO-2013074889-A1 | METHODS OF TREATING AND PREVENTING LEUKEMIA AND OTHER CANCERS OF THE BLOOD AND BONE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2013-05-23 | — | — | WO | disclosed |