Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 5/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GPR132 | Q9UNW8 | 3/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP3 | P08254 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | PREP | P48147 | 2/20 | 0.32 |
| ▸ | FAP | Q12884 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | MC3R | P41968 | 1/20 | 0.32 |
| ▸ | MC1R | Q01726 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 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 | |
|---|---|---|---|---|
| SCHEMBL4045571 | 0.92 | CTSK (0.46) | ELANECTSKMMP1MMP3MMP9 | |
| SCHEMBL4051965 | 0.92 | MC4R (0.38) | ELANECTSKCYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL4048312 | 0.89 | KCNQ1 (0.40) | ELANECTSKTSHRALDH1A1 | |
| SCHEMBL4044808 | 0.89 | CTSK (0.36) | ELANECTSKCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4042585 | 0.89 | USP30 (0.39) | ELANECTSKTSHRALDH1A1MC4R | |
| SCHEMBL4045553 | 0.89 | CTSK (0.34) | ELANECTSKALDH1A1GPR132PREP | |
| SCHEMBL4051473 | 0.89 | CTSK (0.34) | ELANECTSKALDH1A1GPR132PREP | |
| SCHEMBL4042529 | 0.89 | BCL2 (0.38) | ELANECTSKGPR132MC4RMC3R | |
| SCHEMBL4042885 | 0.88 | TGM2 (0.44) | CTSKTGM2 | |
| SCHEMBL4044339 | 0.88 | ALDH1A1 (0.37) | ELANECTSKALDH1A1GPR132MMP1 |
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-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | claimed |