Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | KIF11 | P52732 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9155004 | 0.79 | THRB (0.37) | THRBTDP1AKR1C1HDAC4KIF11 | |
| SCHEMBL461337 | 0.77 | THRB (0.40) | THRBTDP1AKR1C1HDAC4KIF11 | |
| Hydrochloric Acid SCHEMBL28933194 | 0.77 | THRB (0.36) | THRBTDP1AKR1C1HDAC4KIF11 | |
| SCHEMBL9899733 | 0.76 | THRB (0.35) | THRBTDP1AKR1C1HDAC4KIF11 | |
| SCHEMBL8491987 | 0.76 | TDP1 (0.35) | THRBTDP1AKR1C1HDAC4KIF11 | |
| SCHEMBL9302017 | 0.76 | THRB (0.35) | THRBTDP1AKR1C1HDAC4KIF11 | |
| SCHEMBL4346969 | 0.76 | THRB (0.35) | THRBTDP1AKR1C1HDAC4KIF11 | |
| SCHEMBL1126348 | 0.74 | NPC1 (0.32) | TDP1 | |
| SCHEMBL31186268 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL2800949 | 0.74 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999029670-A2 | AMINOCARBONYLTETRALIN AND DIHYDRONAPHTALENE DERIVATES AS THROMBIN INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-06-17 | — | — | WO | disclosed |
| 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 |