Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.58 |
| ▸ | ESR1 | P03372 | 8/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.58 |
| ▸ | MMP3 | P08254 | 2/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | ESRRG | P62508 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL526434 | 0.92 | ESR1 (0.52) | KIF11ESR1ESR2TSHRLMNA | |
| SCHEMBL1538637 | 0.86 | TSHR (0.56) | KIF11ESR1ESR2TSHRCYP3A4 | |
| SCHEMBL7937287 | 0.80 | ESR1 (0.76) | KIF11ESR1ESR2TSHRLMNA | |
| SCHEMBL7937977 | 0.78 | ESR1 (0.64) | ESR1ESR2TSHRLMNATYR | |
| SCHEMBL7940616 | 0.78 | ESR1 (0.64) | ESR1ESR2TSHRLMNATYR | |
| SCHEMBL7938430 | 0.78 | NR1H2 (0.64) | KIF11ESR1ESR2TSHRLMNA | |
| SCHEMBL7938509 | 0.77 | ESR1 (0.39) | KIF11ESR1ESR2TSHRLMNA | |
| SCHEMBL8067180 | 0.77 | ESR1 (0.78) | KIF11ESR1ESR2TSHRLMNA | |
| SCHEMBL7929201 | 0.77 | LMNA (0.65) | ESR1ESR2MMP3LMNATYR | |
| SCHEMBL6292004 | 0.76 | ESR1 (1.00) | KIF11ESR1ESR2MMP3BCL2L1 |
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 |