Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 9/20 | 0.44 |
| ▸ | MMP2 | P08253 | 7/20 | 0.44 |
| ▸ | MMP1 | P03956 | 3/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP7 | P09237 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.35 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28125140 | 0.86 | GLA (0.43) | CYP2C9CYP2C19 | |
| SCHEMBL28061680 | 0.85 | LTB4R (0.38) | CCR5 | |
| SCHEMBL28061650 | 0.84 | TMEM97 (0.35) | — | |
| SCHEMBL28124735 | 0.82 | HCRTR2 (0.38) | CCR5CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28061679 | 0.77 | P2RX3 (0.40) | CYP3A4CYP2C9CYP2C19TEAD1HDAC6 | |
| SCHEMBL28124690 | 0.75 | CYP3A4 (0.41) | MMP9MMP2MMP1MMP3MMP7 | |
| SCHEMBL28093132 | 0.75 | SMN1; SMN2 (0.39) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27809084 | 0.74 | EGFR (0.39) | ACACB | |
| SCHEMBL28061646 | 0.73 | KDM4E (0.38) | CYP3A4 | |
| SCHEMBL28294382 | 0.68 | TBXA2R (0.32) | — |
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 2 patents. 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 |
| CN-105492436-A | Substituted phenyl-2,3-benzodiazepines | Bayer Pharma AG | 2016-04-13 | — | — | CN | disclosed |