Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 5/20 | 0.40 |
| ▸ | CES2 | O00748 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27577293 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1CES1CES2 | |
| SCHEMBL29436996 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPK1CES1CES2 | |
| SCHEMBL11403992 | 0.82 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1CES1CES2 | |
| SCHEMBL11403994 | 0.82 | ALDH1A1 (0.46) | ALDH1A1TDP1MAPK1CES1CES2 | |
| SCHEMBL18946033 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TDP1MAPK1CES1CES2 | |
| SCHEMBL19792666 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1CES1CES2 | |
| SCHEMBL3722948 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1CES1CES2 | |
| SCHEMBL3722947 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1CES1CES2 | |
| SCHEMBL950633 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1CES1CES2 | |
| SCHEMBL262669 | 0.78 | ALDH1A1 (0.52) | ALDH1A1TDP1MAPK1CES1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5162552-A | PREPARATION OF 4-ACETALS OF BUTENE-1,4-DIAL AND NOVEL ACETALS OF BUTENE-1,4-DIAL | BASF AKTIENGESELLSCHAFT (DE) | 1992-11-10 | — | — | US | disclosed |