Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11669645 | 0.88 | KDM4E (0.37) | KDM4EALDH1A1TDP1PKMMEN1 | |
| SCHEMBL9183918 | 0.86 | KDM4E (0.41) | KDM4EALDH1A1TDP1PKMMEN1 | |
| SCHEMBL510418 | 0.81 | TSHR (0.41) | KDM4EALDH1A1TDP1PKMMEN1 | |
| SCHEMBL509258 | 0.80 | ALDH1A1 (0.38) | KDM4EALDH1A1TDP1PKMMEN1 | |
| SCHEMBL8103271 | 0.80 | KDM4E (0.40) | KDM4EALDH1A1TDP1PKMMEN1 | |
| SCHEMBL18800106 | 0.79 | KDM4E (0.38) | KDM4EALDH1A1TDP1PKMKMT2A | |
| SCHEMBL17580303 | 0.79 | ALDH1A1 (0.39) | KDM4EALDH1A1TDP1PKMMEN1 | |
| SCHEMBL9182805 | 0.79 | KDM4E (0.39) | KDM4EALDH1A1TDP1PKMMEN1 | |
| SCHEMBL16649052 | 0.78 | ALDH1A1 (0.52) | KDM4EALDH1A1TDP1PKMMEN1 | |
| SCHEMBL20634895 | 0.77 | ALDH1A1 (0.36) | KDM4EALDH1A1TDP1PKMMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6730788-B1 | COUPLING WITH KETONE IN PRESENCE OF LANTHANIDE II METAL COMPOUND | UNIVERSITY OF NOTRE DAME | 2004-05-04 | — | — | US | disclosed |