Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.63 |
| ▸ | MEN1 | O00255 | 6/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | GAA | P10253 | 2/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 6/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | BRAF | P15056 | 1/20 | 0.52 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.51 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7577636 | 0.81 | ALDH1A1 (0.79) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL7594332 | 0.80 | ALDH1A1 (0.71) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL7122210 | 0.80 | MEN1 (0.62) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL5075500 | 0.79 | KCNA5 (0.72) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL5616176 | 0.79 | KCNA5 (0.72) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL14680335 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL7531862 | 0.78 | KMT2A (0.69) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL1653473 | 0.77 | NFKBIA (0.47) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL3563330 | 0.76 | MCL1 (0.55) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL10878905 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2AKDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011094708-A2 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATIING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | DANA-FARBER CANCER INSTITUTE, INC (US) | 2011-08-04 | — | — | WO | disclosed |