Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSV | O60911 | 3/20 | 0.46 |
| ▸ | CTSL | P07711 | 3/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.40 |
| ▸ | GPR34 | Q9UPC5 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.39 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18174091 | 0.96 | CTSV (0.48) | CTSVCTSLMCL1PTGESMRGPRX4 | |
| SCHEMBL18174100 | 0.93 | PTGES (0.41) | CTSVCTSLPTGESMRGPRX4AKR1C3 | |
| SCHEMBL18174146 | 0.90 | GPR34 (0.41) | CTSVCTSLMCL1PTGESMRGPRX4 | |
| SCHEMBL18151705 | 0.89 | EGFR (0.45) | MCL1PTGESMRGPRX4NR4A2 | |
| SCHEMBL18152274 | 0.88 | ADAMTS4 (0.47) | MCL1ADAMTS4MMP13ADAMTS5 | |
| SCHEMBL18152539 | 0.85 | MAPK14 (0.46) | MCL1MRGPRX4NR4A2 | |
| SCHEMBL18164430 | 0.85 | EGFR (0.45) | MCL1PTGESMRGPRX4NR4A2 | |
| SCHEMBL18151924 | 0.84 | ADAMTS4 (0.49) | MCL1ADAMTS4MMP13ADAMTS5 | |
| SCHEMBL18152073 | 0.83 | EGFR (0.44) | PTGES | |
| SCHEMBL18151710 | 0.81 | ADAMTS4 (0.45) | MCL1PTGESADAMTS4MMP13ADAMTS5 |
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-3285583-A1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | The Regents of The University of Michigan (US) | 2018-02-28 | — | — | EP | disclosed |
| WO-2016172218-A1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2016-10-27 | — | — | WO | disclosed |