Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL20027221 | 0.76 | GPR3 (0.39) | HTTNISCHP2RX4GPR3CHRNB4 | |
| SCHEMBL16728888 | 0.76 | GPR3 (0.39) | HTTNISCHP2RX4GPR3CHRNB4 | |
| SCHEMBL24922930 | 0.74 | NISCH (0.38) | HTTNISCHP2RX4GPR3CHRNB4 | |
| SCHEMBL20027220 | 0.74 | HTT (0.36) | HTTNISCHP2RX4GPR3CHRNB4 | |
| SCHEMBL26298676 | 0.74 | HTT (0.36) | HTTNISCHP2RX4GPR3CHRNB4 | |
| SCHEMBL27303717 | 0.74 | TSHR (0.35) | HTTNISCHP2RX4ALDH1A1TSHR | |
| SCHEMBL7595083 | 0.72 | PTPN2 (0.35) | HTTNISCHP2RX4GPR3CHRNB4 | |
| SCHEMBL28310790 | 0.72 | NISCH (0.40) | NISCHKDM4EALDH1A1GAAHPGD | |
| SCHEMBL7537968 | 0.71 | ADK (0.38) | HTTNISCHCHRNB4CHRNA3KDM4E | |
| SCHEMBL21118527 | 0.71 | HTT (0.38) | HTTNISCHP2RX4CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-103172523-B | The method of the selective N-primary amine that methylates | NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2015-09-30 | — | — | CN | disclosed |