Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 7/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | ICMT | O60725 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30790922 | 0.93 | MCL1 (0.49) | MCL1CNR1PTGER4XDHCNR2 | |
| SCHEMBL20604810 | 0.93 | MCL1 (0.49) | MCL1CNR1PTGER4XDHCNR2 | |
| SCHEMBL30790899 | 0.90 | MCL1 (0.41) | MCL1PTGER4 | |
| SCHEMBL20605746 | 0.90 | MCL1 (0.41) | MCL1PTGER4 | |
| SCHEMBL20605018 | 0.88 | MCL1 (0.44) | MCL1CNR1PTGER4RIPK1ICMT | |
| SCHEMBL23799369 | 0.85 | MCL1 (0.39) | MCL1CNR1PTGER4XDHRIPK1 | |
| SCHEMBL26581633 | 0.84 | MCL1 (0.52) | MCL1CNR1PTGER4XDHCNR2 | |
| SCHEMBL20604942 | 0.83 | MCL1 (0.46) | MCL1CNR1CNR2 | |
| SCHEMBL23809512 | 0.82 | MCL1 (0.48) | MCL1CNR1PTGER4XDHCNR2 | |
| SCHEMBL20604830 | 0.81 | DYRK1A (0.35) | MCL1CNR1XDHCNR2 |
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-3423435-A1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | Vanderbilt University (US) | 2019-01-09 | — | — | EP | disclosed |