Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PGK2 | P07205 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1054149 | 0.82 | NPSR1 (0.44) | NPSR1BRD4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL12432224 | 0.82 | IRAK4 (0.49) | NPSR1BRD4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL134484 | 0.82 | KDM4E (0.61) | BRD4KDM4EALOX15TSHRACMSD | |
| SCHEMBL30952862 | 0.82 | NPSR1 (0.44) | NPSR1BRD4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL20202796 | 0.81 | NPSR1 (0.43) | NPSR1BRD4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL1057937 | 0.81 | NPSR1 (0.43) | NPSR1BRD4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL6898745 | 0.81 | KCNH2 (0.46) | NPSR1BRD4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL4859332 | 0.81 | NPSR1 (0.43) | NPSR1BRD4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL17192834 | 0.81 | BRD4 (0.46) | NPSR1BRD4ALDH1A1CYP1A2KDM4E | |
| SCHEMBL30885081 | 0.81 | NPSR1 (0.43) | NPSR1BRD4ALDH1A1CYP1A2KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111108092-A | Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-05-05 | — | — | CN | disclosed |