Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 16/20 | 0.58 |
| ▸ | HRH1 | P35367 | 5/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | HRH2 | P25021 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634144 | 0.97 | HRH3 (0.57) | HRH3HRH1HRH2 | |
| SCHEMBL8630602 | 0.88 | HRH3 (0.59) | HRH3HRH1DRD4SLC6A4HRH2 | |
| SCHEMBL8637843 | 0.85 | HRH3 (0.60) | HRH3HRH1DRD4SLC6A4HRH2 | |
| SCHEMBL8837972 | 0.83 | HRH3 (0.57) | HRH3HRH1DRD4SLC6A4HRH2 | |
| Hydrochloric Acid SCHEMBL8838070 | 0.79 | HRH3 (0.56) | HRH3HRH1DRD4SLC6A4HRH2 | |
| SCHEMBL8634749 | 0.79 | HRH3 (0.48) | HRH3HRH1DRD4SLC6A4 | |
| Hydrochloric Acid SCHEMBL9023742 | 0.76 | DRD4 (0.60) | HRH3HRH1DRD4SLC6A4HRH2 | |
| SCHEMBL7949588 | 0.74 | SLC6A4 (0.49) | HRH3HRH1DRD4SLC6A4HRH2 | |
| SCHEMBL7397112 | 0.74 | HTR1A (0.54) | HRH3DRD4SLC6A4 | |
| SCHEMBL5696793 | 0.74 | KMT2A (0.62) | — |
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 |