Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPB1 | P04792 | 4/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7938532 | 0.84 | ESR1 (0.64) | CA1CA2CA5ACA9POLB | |
| SCHEMBL9719384 | 0.82 | HSPB1 (0.61) | HSPB1CA1CA2CA5ACA9 | |
| SCHEMBL28450383 | 0.82 | HSD11B1 (0.68) | CA1CA2CA5ACA9POLB | |
| SCHEMBL10705450 | 0.82 | MAPT (0.56) | CA1CA2CA5ACA9ALDH1A1 | |
| SCHEMBL536 | 0.82 | HSPB1 (0.75) | HSPB1CA1CA2CA5ACA9 | |
| SCHEMBL7026994 | 0.82 | HSPB1 (0.75) | HSPB1CA1CA2CA5ACA9 | |
| Fluoride SCHEMBL4551986 | 0.80 | HSPB1 (0.72) | HSPB1POLBALDH1A1MEN1LMNA | |
| Fluoride SCHEMBL4551988 | 0.80 | HSPB1 (0.72) | HSPB1POLBALDH1A1MEN1LMNA | |
| Water SCHEMBL28147677 | 0.80 | HSPB1 (0.72) | HSPB1POLBALDH1A1MEN1LMNA | |
| SCHEMBL28001935 | 0.80 | HSPB1 (0.72) | HSPB1POLBALDH1A1MEN1LMNA |
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 |