Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | MAT2A | P31153 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ICMT | O60725 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6017361 | 0.93 | PKM (0.42) | PKMMAPTPPARDTHRB | |
| SCHEMBL5617216 | 0.89 | PPARD (0.40) | PPARDPTGER4ALDH1A1TRPV1BACE1 | |
| SCHEMBL6017265 | 0.85 | PKM (0.42) | PKMMAPTPPARDPTGER4MAT2A | |
| SCHEMBL6065143 | 0.82 | PKM (0.42) | PKMMAPTPPARDPTGER4MAT2A | |
| SCHEMBL9662589 | 0.80 | PKM (0.60) | PKMMAPTALDH1A1POLBTDP1 | |
| SCHEMBL6065162 | 0.80 | PKM (0.40) | PKMMAPTPPARDPTGER4MAT2A | |
| SCHEMBL6064759 | 0.80 | PKM (0.40) | PKMMAPTPPARDPTGER4MAT2A | |
| SCHEMBL6017227 | 0.80 | PKM (0.41) | PKMMAPTPPARDALDH1A1L3MBTL1 | |
| SCHEMBL6017372 | 0.79 | PKM (0.43) | PKMPPARDTRPV1 | |
| SCHEMBL6017244 | 0.78 | PPARD (0.45) | PPARDPTGER4ALDH1A1L3MBTL1 |
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-1682535-A1 | HETEROARYL DERIVATIVES AS PPAR ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005049606-A1 | HETEROARYL DERIVATIVES AS PPAR ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-02 | — | — | WO | disclosed |