Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HRH2 | P25021 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5176537 | 0.89 | KDM4E (0.42) | MAPTADRB2POLBTDP1TRPV1 | |
| SCHEMBL5177046 | 0.87 | PKM (0.41) | PKMMAPTSMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL5176799 | 0.83 | PKM (0.44) | PKMMAPTSMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL5177050 | 0.83 | PKM (0.44) | PKMMAPTSMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9662401 | 0.80 | PKM (0.56) | PKMMAPTADRB2SMN1; SMN2CYP1A2 | |
| SCHEMBL5177379 | 0.79 | PKM (0.44) | PKMMAPTSMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL3876164 | 0.76 | POLB (0.39) | MAPTPOLBHRH2HRH1TRPV1 | |
| SCHEMBL5177101 | 0.75 | PPARD (0.36) | TRPV1PPARGPPARDPPARAGOT1 | |
| SCHEMBL5176038 | 0.75 | PKM (0.44) | PKMMAPTSMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL3872910 | 0.74 | PPARG (0.45) | MAPTPOLBHRH2HRH1LMNA |
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 |