Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | AGER | Q15109 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22656000 | 1.00 | KMT2A (0.42) | KMT2AAGERATMCYP2C19CYP1A2 | |
| SCHEMBL20746510 | 1.00 | KMT2A (0.42) | KMT2AAGERATMCYP2C19CYP1A2 | |
| SCHEMBL7806253 | 0.87 | GAA (0.43) | KMT2AAGERCYP2C19CA2CA12 | |
| Acetone SCHEMBL11517974 | 0.83 | ALDH1A1 (0.41) | KMT2AAGERCYP2C19CA2GAA | |
| SCHEMBL21803204 | 0.83 | STAT3 (0.40) | KMT2AAGERCYP2C19CA2CA12 | |
| SCHEMBL11264990 | 0.81 | GAA (0.38) | KMT2AAGERCYP2C19CA2CA12 | |
| SCHEMBL7147511 | 0.81 | CA2 (0.40) | KMT2AAGERCYP2C19CYP1A2CA2 | |
| SCHEMBL23395839 | 0.80 | CA2 (0.45) | KMT2AAGERCYP2C19CA2CA12 | |
| SCHEMBL3446919 | 0.80 | STAT3 (0.41) | KMT2AAGERCYP2C19CA2CA12 | |
| SCHEMBL29245112 | 0.80 | CA2 (0.45) | KMT2AAGERCYP2C19CA2CA12 |
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-3668878-A1 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | Amgen Inc. (US) | 2020-06-24 | — | — | EP | disclosed |
| WO-2019036575-A1 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC. (US) | 2019-02-21 | — | — | WO | disclosed |