Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.64 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CA5A | P35218 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7938396 | 0.84 | HSPB1 (0.55) | ESR1ESR2HSD11B1CA1CA2 | |
| SCHEMBL10705450 | 0.81 | MAPT (0.56) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL28450383 | 0.81 | HSD11B1 (0.68) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL9719384 | 0.81 | HSPB1 (0.61) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL3686864 | 0.80 | ESR1 (1.00) | ESR1ESR2CA1CA2CA5A | |
| P-Nitrophenol SCHEMBL29806213 | 0.80 | CES1 (0.58) | CA1CA2CES1PTGS1PTGS2 | |
| P-Nitrophenol SCHEMBL11048842 | 0.80 | CES1 (0.58) | CA1CA2CES1PTGS1PTGS2 | |
| SCHEMBL9778657 | 0.80 | TSHR (0.69) | HSD11B1CA1CA2CA5ACA9 | |
| SCHEMBL4560440 | 0.80 | ESR1 (1.00) | ESR1ESR2CA1CA2CA5A | |
| P-Nitrophenol SCHEMBL1839 | 0.80 | CES1 (0.58) | CA1CA2CES1PTGS1PTGS2 |
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 4 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 |
| CN-1272884-A | Adipocyte-specific protein homologs | ZYMOGENETICS INC (US) | 2000-11-08 | — | — | CN | disclosed |
| CN-1263882-A | Method for preparing fluorine-substituted aromatic compound | MITSUI CHEMICALS INC (JP) | 2000-08-23 | — | — | CN | disclosed |
| EP-1013629-A1 | Preparation process of fluorine subsituted aromatic compound | Mitsui Chemicals, Inc. (JP) | 2000-06-28 | — | — | EP | disclosed |