Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL81262 | 0.90 | CES1 (0.41) | ALDH1A1MAPK1CES1SMN1; SMN2MAPT | |
| SCHEMBL7116056 | 0.87 | CES2 (0.43) | ALDH1A1MAPK1CES1SMN1; SMN2MAPT | |
| SCHEMBL10782051 | 0.82 | CES2 (0.54) | MAPK1CES1MAPTMEN1CYP3A4 | |
| Hexane SCHEMBL6829057 | 0.80 | CES2 (0.47) | CES1CES2PTGS2ATM | |
| SCHEMBL3207192 | 0.79 | TSHR (0.50) | CES1TDP1CES2TSHRPTGS2 | |
| Ether SCHEMBL18627952 | 0.79 | ATM (0.36) | ALDH1A1MAPK1HIF1ACES1SMN1; SMN2 | |
| SCHEMBL17338761 | 0.77 | KMT2A (0.54) | ALDH1A1HIF1ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL10783782 | 0.77 | CES2 (0.54) | ALDH1A1HIF1ACES1SMN1; SMN2MAPT | |
| SCHEMBL28832334 | 0.77 | CES1 (0.37) | ALDH1A1MAPK1HIF1ACES1SMN1; SMN2 | |
| SCHEMBL10187827 | 0.77 | CES2 (0.36) | ALDH1A1CES1MAPTTDP1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5776948-A | BACTERICIDE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1998-07-07 | — | — | US | disclosed |
| CN-1184473-A | 6-Hydroxyamide-Dihydropyran Derivatives | BIOTA SCIENT MANAGEMENT (AU) | 1998-06-10 | — | — | CN | disclosed |
| EP-0664288-A1 | FLUOROQUINOLINE DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1995-07-26 | — | — | EP | disclosed |