Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GOT1 | P17174 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 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 | 0.83 | PKM (0.44) | PKMPOLBMAPTALDH1A1LMNA | |
| SCHEMBL5176798 | 0.82 | PKM (0.43) | PKMPOLBMAPTLMNAGOT1 | |
| SCHEMBL9662589 | 0.78 | PKM (0.60) | PKMPOLBMAPTALDH1A1LMNA | |
| SCHEMBL5176799 | 0.78 | PKM (0.44) | PKMMAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL5175332 | 0.78 | PKM (0.42) | PKMPOLBMAPTALDH1A1LMNA | |
| SCHEMBL1380488 | 0.76 | GOT1 (0.43) | MAPTALDH1A1LMNASMN1; SMN2GOT1 | |
| SCHEMBL5177379 | 0.76 | PKM (0.44) | PKMMAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL5176038 | 0.75 | PKM (0.44) | PKMMAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL3872201 | 0.75 | LMNA (0.43) | POLBMAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL1377718 | 0.74 | KDM4E (0.39) | ALDH1A1LMNAGOT1CYP2C9TSHR |
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 |