Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 2/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.52 |
| ▸ | PRKCG | P05129 | 1/20 | 0.52 |
| ▸ | PRKCB | P05771 | 1/20 | 0.52 |
| ▸ | PRKCA | P17252 | 1/20 | 0.52 |
| ▸ | PRKCH | P24723 | 1/20 | 0.52 |
| ▸ | PRKCI | P41743 | 1/20 | 0.52 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.52 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL21124439 | 1.00 | ALDH1A1 (0.64) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL6160737 | 0.82 | ALDH1A1 (0.55) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL2061667 | 0.82 | ALDH1A1 (0.76) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL2061670 | 0.82 | ALDH1A1 (0.76) | ALDH1A1LMNAPOLBPKMMEN1 | |
| Hydrochloric Acid SCHEMBL3814180 | 0.81 | ALDH1A1 (0.54) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL30610305 | 0.81 | ALDH1A1 (0.73) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL9976087 | 0.81 | ALDH1A1 (0.73) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL17303557 | 0.80 | CYP3A4 (0.57) | ALDH1A1LMNAPOLBCYP3A4CYP2D6 | |
| SCHEMBL29413657 | 0.79 | ALDH1A1 (0.50) | ALDH1A1LMNAPOLBPKMMEN1 | |
| SCHEMBL1488562 | 0.79 | ALDH1A1 (0.50) | 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 4 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 |
| EP-1214287-A1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | AstraZeneca AB (SE) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001017942-A1 | AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE | ASTRAZENECA AB (SE) | 2001-03-15 | — | — | WO | disclosed |