Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 10/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 10/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL5842887 | 0.91 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL11743101 | 0.89 | CA12 (0.46) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL487058 | 0.82 | CA12 (0.48) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL18338 | 0.82 | CA1 (0.50) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL15021569 | 0.81 | ESR1 (0.60) | CYP3A4HSD17B1HSD17B2CYP2C9ESR1 | |
| SCHEMBL20832525 | 0.80 | ACHE (0.59) | ALDH1A1CYP3A4CA12CA2CA9 | |
| (Phenylsulfinyl)Benzene SCHEMBL28482857 | 0.80 | CA12 (0.58) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL11022392 | 0.79 | ALOX15 (0.47) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL12345914 | 0.78 | CYP3A4 (0.48) | ALDH1A1CYP3A4CA12CA2CA9 | |
| SCHEMBL12345913 | 0.78 | CYP3A4 (0.48) | ALDH1A1CYP3A4CA12CA2CA9 |
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 3 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 |
| US-5578697-A | DIELECTRIC POLYMERS FOR ELECTRONICS | KABUSHIKI KAISHA TOSHIBA (JP) | 1996-11-26 | — | — | US | disclosed |