Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 4/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6091729 | 1.00 | KDM4E (0.44) | KDM4EALDH1A1PKMEGFRSRC | |
| SCHEMBL6090680 | 0.94 | ESR1 (0.41) | KDM4EALDH1A1PKMEGFRSRC | |
| SCHEMBL6090674 | 0.94 | ESR1 (0.41) | KDM4EALDH1A1PKMEGFRSRC | |
| SCHEMBL6087991 | 0.94 | KDM4E (0.38) | KDM4EALDH1A1PKMEGFRSRC | |
| SCHEMBL6087990 | 0.94 | KDM4E (0.38) | KDM4EALDH1A1PKMEGFRSRC | |
| SCHEMBL7489562 | 0.90 | KDM4E (0.36) | KDM4EALDH1A1PKMEGFRSRC | |
| SCHEMBL7491152 | 0.88 | ESR1 (0.38) | KDM4EALDH1A1PKMEGFRSRC | |
| SCHEMBL6092216 | 0.84 | EGFR (0.40) | KDM4EALDH1A1PKMEGFRSRC | |
| SCHEMBL6092220 | 0.84 | EGFR (0.40) | KDM4EALDH1A1PKMEGFRSRC | |
| SCHEMBL6090463 | 0.84 | ALDH1A1 (0.39) | KDM4EALDH1A1PKMEGFRSRC |
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 |