Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | FABP3 | P05413 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | CFD | P00746 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | GGT1 | P19440 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31612516 | 1.00 | KDM4E (0.50) | KDM4ETDP1CYP3A4ALOX12FABP3 | |
| SCHEMBL6137016 | 0.83 | TSHR (0.53) | KDM4ETDP1CYP3A4ALOX12TSHR | |
| SCHEMBL30552290 | 0.83 | FABP3 (0.49) | KDM4ETDP1CYP3A4ALOX12FABP3 | |
| SCHEMBL121772 | 0.83 | FABP3 (0.49) | KDM4ETDP1CYP3A4ALOX12FABP3 | |
| SCHEMBL2929232 | 0.83 | FABP3 (0.49) | KDM4ETDP1CYP3A4ALOX12FABP3 | |
| SCHEMBL9775968 | 0.82 | KDM4E (0.46) | KDM4ETDP1CYP3A4ALOX12FABP3 | |
| SCHEMBL11057310 | 0.82 | KDM4E (0.46) | KDM4ETDP1CYP3A4ALOX12TSHR | |
| SCHEMBL1153425 | 0.82 | FABP3 (0.43) | KDM4ETDP1CYP3A4ALOX12FABP3 | |
| SCHEMBL6691258 | 0.82 | MAPK1 (0.49) | KDM4ETDP1CYP3A4ALOX12TSHR | |
| SCHEMBL31612517 | 0.82 | MAPK1 (0.49) | KDM4ETDP1CYP3A4ALOX12TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-111257489-A | Method for analyzing volatile phenolic compounds in water based on ultrasonic-assisted in-situ bubbling and simultaneous derivatization-dispersion liquid-liquid microextraction | 浙江工业大学 | 2020-06-09 | — | — | CN | disclosed |
| WO-2017156354-A1 | α-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2017-09-14 | — | — | WO | disclosed |
| WO-1997047200-A1 | WIDE RANGE CLEANING AND DISINFECTING PREPARATIONS | ABRAHAM WEITZMAN (CA) | 1997-12-18 | — | — | WO | disclosed |