Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4204801 | 0.87 | PDE2A (0.36) | CYP19A1MAPK1ORAI1ORAI2ORAI3 | |
| Hydrochloric Acid SCHEMBL8577339 | 0.84 | PDE2A (0.35) | CYP19A1MAPK1IDO1ORAI1ORAI2 | |
| Hydrochloric Acid SCHEMBL8577343 | 0.84 | PDE2A (0.35) | CYP19A1MAPK1IDO1ORAI1ORAI2 | |
| SCHEMBL11240836 | 0.79 | PDE2A (0.32) | MAPK1 | |
| SCHEMBL11599184 | 0.79 | TSHR (0.50) | MAPK1 | |
| SCHEMBL1508480 | 0.79 | ALDH1A1 (0.50) | ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL1507995 | 0.79 | RAB9A (0.46) | KCNN4CYP19A1RAB9AUSP2CA1 | |
| SCHEMBL3158793 | 0.79 | TSHR (0.50) | KCNN4CYP19A1RAB9AUSP2CA1 | |
| SCHEMBL5394608 | 0.79 | KCNN4 (0.42) | KCNN4CYP19A1RAB9AUSP2CA1 | |
| SCHEMBL4460787 | 0.79 | KCNN4 (0.42) | KCNN4CYP19A1RAB9AUSP2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102134175-B | Preparation method of benzyl fluorine organic compound | JIANGSU WEIER CHEMICAL CO LTD | 2014-03-26 | — | — | CN | disclosed |