Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27640685 | 0.78 | NISCH (0.38) | HTTTSHRALDH1A1L3MBTL1NISCH | |
| SCHEMBL28310785 | 0.78 | ALDH1A1 (0.43) | TSHRALDH1A1L3MBTL1KMT2AP2RX4 | |
| SCHEMBL27303717 | 0.77 | TSHR (0.35) | HTTTSHRALDH1A1L3MBTL1NISCH | |
| Iodide SCHEMBL11688375 | 0.77 | NISCH (0.37) | HTTTSHRALDH1A1L3MBTL1NISCH | |
| SCHEMBL28136724 | 0.77 | TSHR (0.35) | HTTTSHRALDH1A1L3MBTL1NISCH | |
| SCHEMBL7766488 | 0.73 | HTT (0.35) | HTTTSHRALDH1A1L3MBTL1NISCH | |
| SCHEMBL29986485 | 0.72 | TSHR (0.32) | HTTTSHRNISCHKMT2AP2RX4 | |
| SCHEMBL6947699 | 0.72 | TSHR (0.32) | HTTTSHRNISCHKMT2AP2RX4 | |
| SCHEMBL23032217 | 0.70 | CHRNB4 (0.43) | NISCH | |
| SCHEMBL19759876 | 0.70 | HTT (0.33) | HTTTSHRNISCHKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-110483492-A | Dipeptidyl peptidase i inhibitors | ASTRAZENECA AB | 2019-11-22 | — | — | CN | disclosed |
| CN-105980367-B | (2S) -N- [ (1S) -1-cyano-2-phenylethyl ] -1, 4-oxazepane-2-carboxamides as dipeptidyl peptidase I inhibitors | 阿斯利康(瑞典)有限公司 | 2019-08-23 | — | — | CN | disclosed |