Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 3/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | CACNB4 | O00305 | 1/20 | 0.31 |
| ▸ | CACNA1A | O00555 | 1/20 | 0.31 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.31 |
| ▸ | CACNG3 | O60359 | 1/20 | 0.31 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.31 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.31 |
| ▸ | CACNB3 | P54284 | 1/20 | 0.31 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.31 |
| ▸ | CACNG7 | P62955 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.31 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.31 |
| ▸ | CACNG1 | Q06432 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4346969 | 0.79 | THRB (0.35) | THRBTDP1AKR1C1KIF11HSD11B1 | |
| SCHEMBL9155004 | 0.79 | THRB (0.37) | THRBTDP1AKR1C1KIF11HDAC4 | |
| SCHEMBL461337 | 0.77 | THRB (0.40) | THRBTDP1AKR1C1KIF11HSD11B1 | |
| Hydrochloric Acid SCHEMBL28933194 | 0.77 | THRB (0.36) | THRBTDP1AKR1C1KIF11HDAC4 | |
| SCHEMBL8489491 | 0.76 | THRB (0.35) | THRBTDP1AKR1C1KIF11HDAC4 | |
| SCHEMBL8491987 | 0.76 | TDP1 (0.35) | THRBTDP1AKR1C1KIF11HDAC4 | |
| SCHEMBL9899733 | 0.76 | THRB (0.35) | THRBTDP1AKR1C1KIF11HDAC4 | |
| SCHEMBL28402482 | 0.74 | LMNA (0.33) | TDP1ALDH1A1ALOX15 | |
| SCHEMBL7064134 | 0.74 | KDM4E (0.34) | CACNB4CACNA1ACACNA1GCACNG3CACNA1F | |
| Oxalic Acid SCHEMBL29053840 | 0.74 | THRB (0.36) | THRBTDP1AKR1C1KIF11HSD11B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5369214-A | Method for selective dehalogenation of halogenated polyaromatic compounds | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1994-11-29 | — | — | US | disclosed |