Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 6/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.46 |
| ▸ | MME | P08473 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.46 |
| ▸ | CPA1 | P15085 | 1/20 | 0.46 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21583890 | 1.00 | SIGMAR1 (0.52) | SIGMAR1MEN1KMT2ABCHEMAOB | |
| SCHEMBL28969319 | 0.92 | PDK1 (0.50) | SIGMAR1MEN1KMT2ABCHEMAOB | |
| SCHEMBL30211156 | 0.92 | PDK1 (0.50) | SIGMAR1MEN1KMT2ABCHEMAOB | |
| SCHEMBL23958491 | 0.92 | PDK1 (0.50) | SIGMAR1MEN1KMT2ABCHEMAOB | |
| SCHEMBL21583965 | 0.86 | SIGMAR1 (0.49) | SIGMAR1MEN1KMT2ABCHEMAOB | |
| SCHEMBL23632922 | 0.84 | ADRA1A (0.49) | SIGMAR1MEN1KMT2ABCHESLC2A1 | |
| SCHEMBL29762300 | 0.84 | ADRA1A (0.49) | SIGMAR1MEN1KMT2ABCHESLC2A1 | |
| SCHEMBL28976177 | 0.84 | ADRA1A (0.49) | SIGMAR1MEN1KMT2ABCHESLC2A1 | |
| SCHEMBL23929173 | 0.80 | MEN1 (0.41) | SIGMAR1MEN1KMT2ABCHEMAOB | |
| SCHEMBL23929163 | 0.79 | LTA4H (0.59) | MEN1KMT2ACYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021213358-A1 | BORON-CONTAINING COMPOUNDS AND APPLICATION THEREOF | 江苏先声药业有限公司 (CN) | 2021-10-28 | — | — | WO | disclosed |