Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.56 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | BAD | Q92934 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19033451 | 0.89 | KIF11 (0.62) | KIF11PTPN5ESR1ESR2CYP2C9 | |
| SCHEMBL7929127 | 0.84 | ESR1 (0.59) | ESR1ESR2KCNN4CYP2C9CYP17A1 | |
| SCHEMBL8064676 | 0.82 | ESR1 (0.72) | KIF11PTPN5ESR1ESR2CYP2C9 | |
| SCHEMBL14489508 | 0.80 | KIF11 (0.52) | KIF11PTPN5ESR1ESR2CYP2C9 | |
| SCHEMBL412237 | 0.79 | ALDH1A1 (0.60) | KIF11BCL2L1BADMEN1POLB | |
| SCHEMBL12444110 | 0.79 | ALDH1A1 (0.60) | KIF11BCL2L1BADMEN1POLB | |
| SCHEMBL7938359 | 0.79 | ALDH1A1 (0.60) | KIF11BCL2L1BADMEN1POLB | |
| SCHEMBL7937282 | 0.78 | ESR1 (0.52) | KIF11ESR1ESR2KCNN4ALDH1A1 | |
| SCHEMBL21370135 | 0.78 | KIF11 (0.48) | KIF11PTPN5ESR1ESR2BACE1 | |
| SCHEMBL7937277 | 0.77 | KIF11 (0.52) | KIF11PTPN5ESR1ESR2KCNN4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242654-B1 | REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND | MITSUI CHEMICALS, INC. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |