Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.36 |
| ▸ | ANPEP | P15144 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2691471 | 0.82 | TRPA1 (0.43) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL11628783 | 0.77 | EPHX1 (0.42) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL6441941 | 0.77 | EPHX1 (0.52) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL12418042 | 0.76 | CYP1A2 (0.63) | CYP1A2 | |
| SCHEMBL22783163 | 0.76 | TAAR1 (0.47) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL15247509 | 0.76 | CYP1A2 (0.63) | CYP1A2 | |
| SCHEMBL5151522 | 0.76 | EPHX1 (0.46) | EPHX1TAAR1SLC6A2SIGMAR1MAOA | |
| SCHEMBL5519279 | 0.75 | CA1 (0.44) | KMT2A | |
| SCHEMBL5526171 | 0.75 | CA1 (0.44) | KMT2A | |
| SCHEMBL4981467 | 0.74 | EPHX1 (0.60) | EPHX1TAAR1SLC6A2SIGMAR1MAOA |
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-111556872-A | Synthesis of boronic ester derivatives and uses thereof | 梅琳塔治疗公司 | 2020-08-18 | — | — | CN | disclosed |