Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 6/20 | 0.57 |
| ▸ | HTR2A | P28223 | 5/20 | 0.56 |
| ▸ | DRD2 | P14416 | 4/20 | 0.56 |
| ▸ | HTR2C | P28335 | 3/20 | 0.56 |
| ▸ | HTR7 | P34969 | 3/20 | 0.56 |
| ▸ | DRD3 | P35462 | 3/20 | 0.56 |
| ▸ | DRD4 | P21917 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9532652 | 0.82 | DRD2 (0.56) | HRH3HTR1AHTR2ADRD2HTR2C | |
| SCHEMBL8837972 | 0.80 | HRH3 (0.57) | HRH3HTR1AHTR7DRD4 | |
| SCHEMBL26108725 | 0.79 | KCNH2 (0.85) | HRH3KCNH2HTR1AHTR2ADRD2 | |
| SCHEMBL26107525 | 0.79 | KCNH2 (0.85) | HRH3KCNH2HTR1AHTR2ADRD2 | |
| SCHEMBL4519313 | 0.79 | KCNH2 (0.85) | HRH3KCNH2HTR1AHTR2ADRD2 | |
| SCHEMBL3674700 | 0.79 | HTR1A (0.72) | HRH3KCNH2HTR1AHTR2ADRD2 | |
| SCHEMBL27715352 | 0.79 | KCNH2 (0.74) | HRH3KCNH2HTR1AHTR2ADRD2 | |
| SCHEMBL5572065 | 0.78 | KCNH2 (0.69) | HRH3KCNH2HTR1AHTR2ADRD2 | |
| Hydrochloric Acid SCHEMBL26108256 | 0.78 | KCNH2 (0.83) | HRH3KCNH2HTR1AHTR2ADRD2 | |
| SCHEMBL8160104 | 0.78 | HTR1A (0.58) | HRH3KCNH2HTR1AHTR2ADRD2 |
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-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |