Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 4/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 3/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19038153 | 0.92 | CYP1A2 (0.48) | CYP1A2CTSKCTSLCTSBMAPT | |
| SCHEMBL22500128 | 0.90 | ALDH1A1 (0.47) | CYP1A2CTSKCTSLCTSBMAPT | |
| SCHEMBL11677049 | 0.90 | ALDH1A1 (0.47) | CYP1A2CTSKCTSLCTSBMAPT | |
| SCHEMBL11677487 | 0.90 | ALDH1A1 (0.47) | CYP1A2CTSKCTSLCTSBMAPT | |
| SCHEMBL4655235 | 0.85 | CYP1A2 (0.35) | CYP1A2CTSKCTSLCTSBMAPT | |
| SCHEMBL28098164 | 0.84 | CYP1A2 (0.43) | CYP1A2CTSKCTSLCTSBALDH1A1 | |
| SCHEMBL4655208 | 0.83 | CYP1A2 (0.39) | CYP1A2CTSKCTSLCTSBALDH1A1 | |
| SCHEMBL26999135 | 0.82 | TSHR (0.39) | CYP1A2CTSKCTSLCTSBMAPT | |
| SCHEMBL29372127 | 0.82 | CYP1A2 (0.38) | CYP1A2MAPTALDH1A1KMT2AREN | |
| SCHEMBL13663827 | 0.82 | MAPT (0.36) | CYP1A2CTSKCTSLCTSBMAPT |
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-2781512-B1 | OXADIAZOLE COMPOUND AND PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF | UNIV SHANGHAI JIAOTONG (CN) | 2017-06-28 | — | — | EP | disclosed |