Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 4/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28461735 | 0.89 | EPHX1 (0.39) | EPHX1CYP2D6EPHX2GAACACNA1B | |
| SCHEMBL8010602 | 0.84 | CYP2C9 (0.39) | EPHX1CYP2D6EPHX2GAACACNA1B | |
| SCHEMBL20221370 | 0.84 | EPHX1 (0.37) | EPHX1CYP2D6EPHX2GAACACNA1B | |
| SCHEMBL7214614 | 0.84 | CYP2C9 (0.39) | EPHX1CYP2D6EPHX2GAACACNA1B | |
| SCHEMBL15116688 | 0.84 | EPHX1 (0.37) | EPHX1CYP2D6EPHX2GAACACNA1B | |
| SCHEMBL1915636 | 0.83 | CYP2C9 (0.41) | EPHX1CYP2D6EPHX2GAACACNA1B | |
| SCHEMBL1915638 | 0.83 | CYP2C9 (0.41) | EPHX1CYP2D6EPHX2GAACACNA1B | |
| SCHEMBL15113847 | 0.81 | CYP2D6 (0.37) | EPHX1CYP2D6GAACACNA1BBTK | |
| SCHEMBL25409678 | 0.81 | BTK (0.39) | EPHX1CYP2D6GAAMEN1KMT2A | |
| SCHEMBL22035440 | 0.81 | BTK (0.39) | EPHX1CYP2D6GAAMEN1KMT2A |
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-6627771-B1 | 4-Amino-3-cyclopentylbutyric acid; antiepileptic, anxiolytic, antidepressant, analgesic, and antiinflammatory agents; brain, neurodegenerative, nervous system, psychological, and gastrointestinal disorders | PFIZER INC | 2003-09-30 | — | — | US | disclosed |
| WO-2000031020-A1 | IMPROVED GAMMA AMINO BUTYRIC ACID ANALOGS | WARNER-LAMBERT COMPANY (US) | 2000-06-02 | — | — | WO | disclosed |