Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 2/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | GPR3 | P46089 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23678495 | 0.87 | MAOB (0.38) | CYP2C9PDE2AADRA2AADRA2BADRA2C | |
| SCHEMBL23678388 | 0.87 | MAOB (0.38) | CYP2C9PDE2AADRA2AADRA2BADRA2C | |
| SCHEMBL23678359 | 0.87 | MAOB (0.38) | CYP2C9PDE2AADRA2AADRA2BADRA2C | |
| SCHEMBL23678320 | 0.84 | MCL1 (0.37) | ALDH1A1MEN1KMT2AMAPTHTT | |
| SCHEMBL23678389 | 0.82 | CYP2C9 (0.36) | CYP17A1CYP2C9CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL23678461 | 0.81 | KDM4E (0.41) | ALDH1A1LMNAKDM4ESMN1; SMN2 | |
| SCHEMBL23678397 | 0.79 | PDE2A (0.42) | PDE2ATRPV3 | |
| SCHEMBL23678270 | 0.77 | ADRA2A (0.33) | PDE2AADRA2AADRA2BADRA2C | |
| SCHEMBL23678314 | 0.76 | ADRA2A (0.32) | ADRA2AADRA2BADRA2C | |
| SCHEMBL23678481 | 0.74 | ADRA2C (0.33) | PDE2AADRA2AADRA2BADRA2C |
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 |
|---|---|---|---|---|---|---|---|
| EP-3854788-A1 | COMPOUND CONTAINING OXADIAZOLE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | SK Biopharmaceuticals Co., Ltd. (KR) | 2021-07-28 | — | — | EP | disclosed |