Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 2/20 | 0.36 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | MMP9 | P14780 | 2/20 | 0.36 |
| ▸ | MMP8 | P22894 | 2/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.35 |
| ▸ | ITGAV | P06756 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.33 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL6020634 | 0.91 | MMP1 (0.44) | CTSLCTSSCTSKMMP1MMP2 | |
| SCHEMBL6473206 | 0.84 | CTSL (0.42) | CTSLCTSSCTSKMMP1MMP2 | |
| SCHEMBL6020368 | 0.77 | CTSL (0.51) | CTSLCTSSCTSKMMP1MMP2 | |
| SCHEMBL6020992 | 0.77 | MMP1 (0.44) | CTSLCTSSCTSKMMP1MMP2 | |
| SCHEMBL6019801 | 0.77 | MMP1 (0.55) | MMP1MMP2MMP9MMP8ITGB3 | |
| SCHEMBL6020361 | 0.76 | MMP1 (0.45) | CTSLCTSSCTSKMMP1MMP2 | |
| SCHEMBL6020630 | 0.74 | CTSL (0.48) | CTSLCTSSCTSKMMP1MMP2 | |
| SCHEMBL6021298 | 0.74 | ITGB3 (0.53) | MMP1MMP2MMP9MMP8ITGB3 | |
| SCHEMBL6019702 | 0.73 | ITGB3 (0.52) | MMP1MMP2MMP9MMP8ITGB3 | |
| SCHEMBL6021751 | 0.72 | CTSL (0.46) | CTSLCTSSCTSKMMP1MMP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | claimed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | claimed |