Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 7/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GOT1 | P17174 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5177928 | 0.91 | KDM4E (0.39) | TRPV1KDM4EACACBBCL2L1GOT1 | |
| SCHEMBL5176798 | 0.86 | PKM (0.43) | PKMTDP1HRH3TRPV1POLB | |
| SCHEMBL5177050 | 0.81 | PKM (0.44) | PKMTDP1TRPV1POLBMAPT | |
| SCHEMBL3872225 | 0.79 | NLRP3 (0.44) | HRH3ACACBLMNAMEN1KMT2A | |
| SCHEMBL9662589 | 0.79 | PKM (0.60) | PKMTDP1HRH3TRPV1POLB | |
| SCHEMBL5176046 | 0.78 | PKM (0.42) | PKMTRPV1POLBMAPTALDH1A1 | |
| SCHEMBL5176799 | 0.76 | PKM (0.44) | PKMTDP1TRPV1MAPTALDH1A1 | |
| SCHEMBL3874761 | 0.75 | TRPV1 (0.40) | HRH3TRPV1POLBMAPTACACB | |
| SCHEMBL1379036 | 0.75 | KDM4E (0.41) | TRPV1KDM4EACACBMEN1KMT2A | |
| SCHEMBL5176038 | 0.74 | PKM (0.44) | PKMTDP1TRPV1MAPTALDH1A1 |
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 |