Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 8/20 | 0.39 |
| ▸ | MMP2 | P08253 | 7/20 | 0.39 |
| ▸ | MMP1 | P03956 | 3/20 | 0.39 |
| ▸ | MMP3 | P08254 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 2/20 | 0.39 |
| ▸ | MMP13 | P45452 | 2/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.35 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.35 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28125189 | 0.87 | ALDH1A1 (0.39) | CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL28124696 | 0.82 | HCRTR1 (0.33) | CYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL28067355 | 0.75 | MMP9 (0.44) | CYP3A4CYP2C9CYP2C19MMP9MMP2 | |
| SCHEMBL28124688 | 0.71 | ALDH1A1 (0.42) | CYP3A4CYP2C9CYP2C19SLC5A1SLC5A2 | |
| SCHEMBL28330483 | 0.70 | — | — | |
| SCHEMBL25285401 | 0.69 | VNN1 (0.49) | CYP3A4CYP2C9CYP2C19MMP9MMP2 | |
| SCHEMBL25285402 | 0.69 | VNN1 (0.49) | CYP3A4CYP2C9CYP2C19MMP9MMP2 | |
| SCHEMBL5544492 | 0.65 | LSS (0.42) | CYP3A4CYP2C9CYP2C19EPHX2AMPD2 | |
| SCHEMBL13228067 | 0.63 | LMNA (0.48) | CYP3A4CYP2C9CYP2C19AMPD2LMNA | |
| SCHEMBL15569872 | 0.62 | PAX8 (0.40) | CYP3A4CYP2C9CYP2C19EPHX2LMNA |
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-104755473-B | 2,3 benzodiazepine * | 拜耳医药股份有限公司 | 2017-03-08 | — | — | CN | disclosed |