Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.39 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL18624987 | 0.86 | CYP2A6 (0.64) | PTGS2PTGS1CYP2A6MKNK1MKNK2 | |
| SCHEMBL18624985 | 0.86 | CYP2A6 (0.64) | PTGS2PTGS1CYP2A6MKNK1MKNK2 | |
| SCHEMBL17060239 | 0.86 | CYP2A6 (0.64) | PTGS2PTGS1CYP2A6MKNK1MKNK2 | |
| SCHEMBL18624986 | 0.81 | CYP2A6 (0.56) | PTGS2PTGS1CYP2A6MKNK1MKNK2 | |
| SCHEMBL18624988 | 0.77 | CYP2A6 (0.55) | PTGS2PTGS1CYP2A6MKNK1MKNK2 | |
| SCHEMBL17060220 | 0.75 | CYP2A6 (0.57) | PTGS2PTGS1CYP2A6MKNK1MKNK2 | |
| SCHEMBL17060233 | 0.72 | SLC2A1 (0.53) | PTGS2PTGS1CYP2A6MKNK1MKNK2 | |
| SCHEMBL17060302 | 0.72 | CYP2A6 (0.46) | PTGS2PTGS1CYP2A6MKNK1MKNK2 | |
| SCHEMBL29695665 | 0.72 | CYP2A6 (0.46) | PTGS2PTGS1CYP2A6MKNK1MKNK2 | |
| SCHEMBL17060301 | 0.72 | CYP2A6 (0.46) | PTGS2PTGS1CYP2A6MKNK1MKNK2 |
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-3114119-A1 | MCL-1 MODULATING COMPOUNDS FOR CANCER TREATMENT | Centre de Lutte Contre le Cancer Francois Baclesse (FR) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015132727-A1 | MCL-1 MODULATING COMPOUNDS FOR CANCER TREATMENT | CENTRE REGIONAL DE LUTTE CONTRE LE CANCER FRANCOIS BACLESSE (FR) | 2015-09-11 | — | — | WO | disclosed |