Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | NCEH1 | Q6PIU2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29643341 | 0.83 | SIGMAR1 (0.50) | SIGMAR1SLC6A2SLC6A4NCEH1 | |
| SCHEMBL29643326 | 0.83 | SIGMAR1 (0.50) | SIGMAR1SLC6A2SLC6A4NCEH1 | |
| SCHEMBL173510 | 0.83 | SIGMAR1 (0.50) | SIGMAR1SLC6A2SLC6A4NCEH1 | |
| SCHEMBL7366363 | 0.83 | SIGMAR1 (0.50) | SIGMAR1SLC6A2SLC6A4NCEH1 | |
| SCHEMBL173511 | 0.83 | SIGMAR1 (0.50) | SIGMAR1SLC6A2SLC6A4NCEH1 | |
| SCHEMBL6138885 | 0.82 | NPSR1 (0.44) | SIGMAR1NCEH1ALDH1A1KDM4ETDP1 | |
| SCHEMBL8803002 | 0.81 | SIGMAR1 (0.49) | SIGMAR1SLC6A2SLC6A4NCEH1KDM4E | |
| SCHEMBL809169 | 0.78 | KMT2A (0.41) | SIGMAR1NCEH1ALDH1A1KDM4ETDP1 | |
| SCHEMBL2090835 | 0.78 | SIGMAR1 (0.61) | SIGMAR1NCEH1ALDH1A1GAAPGR | |
| SCHEMBL6139113 | 0.77 | MEN1 (0.40) | SIGMAR1NCEH1ALDH1A1KDM4ETDP1 |
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-113121648-B | N-methyl cyclic pentapeptide compound and synthesis method and application thereof | 河北科技大学 | 2022-07-01 | — | — | CN | disclosed |