Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4626412 | 1.00 | ALDH1A1 (0.52) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL28632726 | 0.84 | ALDH1A1 (0.59) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL20994268 | 0.82 | ALDH1A1 (0.54) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL4626536 | 0.78 | ABCC9 (0.45) | — | |
| SCHEMBL4626538 | 0.78 | ABCC9 (0.45) | — | |
| SCHEMBL21123593 | 0.78 | PKM (0.50) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL4625940 | 0.76 | MCOLN3 (0.47) | ALDH1A1 | |
| SCHEMBL4625938 | 0.76 | MCOLN3 (0.47) | ALDH1A1 | |
| SCHEMBL19203 | 0.76 | GCKR (0.49) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL12078789 | 0.76 | GCKR (0.49) | ALDH1A1LMNAPOLBPKMMEN1 |
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-1214287-B1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | ASTRAZENECA AB (SE) | 2008-07-02 | — | — | EP | disclosed |
| US-6878712-B1 | Amides as inhibitors for pyruvate dehydrogenase | ASTRAZENECA AB (SE) | 2005-04-12 | — | — | US | disclosed |