Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 5/20 | 0.37 |
| ▸ | PPARD | Q03181 | 5/20 | 0.37 |
| ▸ | PPARA | Q07869 | 5/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.37 |
| ▸ | TLR2 | O60603 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | FABP4 | P15090 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23673050 | 1.00 | ALDH1A1 (0.57) | ALDH1A1TSHRLMNAHSD17B10MEN1 | |
| SCHEMBL11661288 | 0.87 | CES2 (0.50) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL22711767 | 0.87 | CES2 (0.50) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL19235427 | 0.87 | CES2 (0.50) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL11002247 | 0.87 | CES2 (0.50) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL22711836 | 0.87 | CES2 (0.50) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL22712119 | 0.87 | CES2 (0.50) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL22711608 | 0.87 | CES2 (0.50) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL11658729 | 0.87 | CES2 (0.50) | ALDH1A1TSHRHSD17B10MEN1KMT2A | |
| SCHEMBL2141578 | 0.87 | CES2 (0.50) | ALDH1A1TSHRHSD17B10MEN1KMT2A |
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-3138838-A1 | SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS | Dana-Farber Cancer Institute, Inc. (US) | 2017-03-08 | — | — | EP | disclosed |