Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 6/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7940700 | 0.92 | KCNN4 (0.48) | KCNN4CYP19A1ESR1ESR2PTPN1 | |
| SCHEMBL16191281 | 0.90 | KCNN4 (0.49) | KCNN4CYP19A1ESR1ESR2PTPN1 | |
| SCHEMBL16191027 | 0.87 | ACHE (0.45) | KCNN4CYP19A1ESR1ESR2PTPN1 | |
| SCHEMBL27969078 | 0.84 | TAAR1 (0.50) | KCNN4ESR1ESR2PTPN1KIF11 | |
| SCHEMBL7929127 | 0.82 | ESR1 (0.59) | KCNN4CYP19A1ESR1ESR2ACHE | |
| SCHEMBL7937282 | 0.76 | ESR1 (0.52) | KCNN4ESR1ESR2KIF11MGLL | |
| SCHEMBL7935562 | 0.76 | KIF11 (0.41) | KCNN4CYP19A1PTPN1NFE2L2KIF11 | |
| SCHEMBL1444135 | 0.73 | CYP19A1 (0.75) | KCNN4CYP19A1PTPN1NFE2L2 | |
| SCHEMBL1444004 | 0.73 | KCNN4 (0.51) | KCNN4CYP19A1PTPN1NFE2L2KIF11 | |
| SCHEMBL201709 | 0.73 | TSHR (0.63) | ESR1ESR2KIF11TSHRMAPK1 |
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 |