Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 7/20 | 0.35 |
| ▸ | PPARD | Q03181 | 6/20 | 0.35 |
| ▸ | PPARG | P37231 | 5/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5177050 | 0.91 | PKM (0.44) | PKMSMN1; SMN2MEN1ALDH1A1LMNA | |
| SCHEMBL1378359 | 0.88 | PPARD (0.43) | MCL1CDK2PPARAPPARDPPARG | |
| SCHEMBL5177379 | 0.85 | PKM (0.44) | PKMSMN1; SMN2MEN1ALDH1A1LMNA | |
| SCHEMBL5176799 | 0.84 | PKM (0.44) | PKMSMN1; SMN2MEN1ALDH1A1LMNA | |
| SCHEMBL8171524 | 0.80 | PKM (0.61) | PKMSMN1; SMN2MEN1ALDH1A1LMNA | |
| SCHEMBL1378534 | 0.79 | PPARD (0.41) | ALDH1A1LMNATRPV1CYP2C9CDK2 | |
| SCHEMBL6065379 | 0.77 | PKM (0.40) | PKMSMN1; SMN2MEN1ALDH1A1LMNA | |
| SCHEMBL6065376 | 0.76 | PKM (0.41) | PKMSMN1; SMN2MEN1ALDH1A1LMNA | |
| SCHEMBL9662589 | 0.75 | PKM (0.60) | PKMSMN1; SMN2MEN1ALDH1A1LMNA | |
| SCHEMBL6017372 | 0.75 | PKM (0.43) | PKMTRPV1PPARAPPARDPPARG |
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-1781608-A1 | INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006018174-A1 | INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-02-23 | — | — | WO | disclosed |