Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL6089928 | 1.00 | ALK (0.38) | ALKALDH1A1KDM4EPKMEGFR | |
| SCHEMBL6092188 | 0.85 | KDM4E (0.37) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6089662 | 0.85 | ALK (0.38) | ALKALDH1A1KDM4EPKMEGFR | |
| SCHEMBL6092182 | 0.85 | KDM4E (0.37) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6089654 | 0.85 | ALK (0.38) | ALKALDH1A1KDM4EPKMEGFR | |
| SCHEMBL6089553 | 0.84 | KDM4E (0.36) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6089562 | 0.84 | KDM4E (0.36) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6088039 | 0.84 | KDM4E (0.38) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6088036 | 0.84 | KDM4E (0.38) | ALDH1A1KDM4EPKMEGFRSRC | |
| SCHEMBL6090221 | 0.83 | KDR (0.45) | ALDH1A1KDM4EPKMEGFRSRC |
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-7060822-B1 | 2-pyrazolin-5-ones | ABBOTT GMBH & CO. KG (DE) | 2006-06-13 | — | — | US | disclosed |