Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.31 |
| ▸ | BRD7 | Q9NPI1 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18999650 | 0.90 | PCSK9 (0.46) | ALDH1A1CYP2A6CYP2A13EPHX2PCSK9 | |
| SCHEMBL19007341 | 0.84 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CYP2A13EPHX2PCSK9 | |
| SCHEMBL24992270 | 0.80 | ALDH1A1 (0.37) | ALDH1A1CYP2A6CYP2A13EPHX2PCSK9 | |
| SCHEMBL26529342 | 0.77 | PCSK9 (0.47) | ALDH1A1CYP2A6CYP2A13EPHX2PCSK9 | |
| SCHEMBL17127671 | 0.73 | ALDH1A1 (0.40) | ALDH1A1CYP2A6CYP2A13EPHX2PCSK9 | |
| SCHEMBL28310880 | 0.70 | PCSK9 (0.52) | ALDH1A1CYP2A6CYP2A13EPHX2PCSK9 | |
| SCHEMBL11951635 | 0.70 | LMNA (0.47) | ALDH1A1CYP2A6CYP2A13PCSK9KDM4E | |
| SCHEMBL6067863 | 0.67 | ALDH1A1 (0.47) | ALDH1A1CYP2A6CYP2A13EPHX2PCSK9 | |
| SCHEMBL197196 | 0.66 | PCSK9 (0.60) | ALDH1A1CYP2A6CYP2A13EPHX2PCSK9 | |
| SCHEMBL3363012 | 0.66 | LMNA (0.40) | ALDH1A1CYP2A6KDM4EGAAHTT |
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-3122353-B1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | UNIV VANDERBILT (US) | 2020-10-28 | — | — | EP | disclosed |