Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | RXRB | P28702 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3389830 | 0.82 | HTR3E (0.46) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL9119611 | 0.79 | HDAC8 (0.40) | HDAC8HDAC4HDAC2ACHECYP2D6 | |
| SCHEMBL8332599 | 0.78 | CETP (0.47) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL8416776 | 0.77 | SLC22A2 (0.44) | HTR1DHTR1BKIF11ALDH1A1MEN1 | |
| SCHEMBL4982058 | 0.76 | HDAC8 (0.46) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL4981786 | 0.76 | HDAC8 (0.43) | HDAC8ACHECYP2D6GRIN2DGRIN3B | |
| SCHEMBL5557095 | 0.76 | SIGMAR1 (0.47) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL11955385 | 0.75 | HDAC8 (0.47) | HDAC8HDAC4HDAC2ACHECYP2D6 | |
| Hydrochloric Acid SCHEMBL4982644 | 0.75 | HDAC8 (0.43) | HDAC8ACHECYP2D6GRIN2DGRIN3B | |
| SCHEMBL6716755 | 0.73 | SIGMAR1 (0.42) | CYP2D6GRIN2DGRIN3BGRIN1GRIN2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995020950-A1 | THERAPEUTIC GUANIDINES | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1995-08-10 | — | — | WO | disclosed |