Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.38 |
| ▸ | MELK | Q14680 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8631574 | 0.82 | HRH3 (0.54) | HRH3ADRB2NCF1PLD1ITGB3 | |
| SCHEMBL8699935 | 0.76 | TSHR (0.48) | HRH3ITGB3ITGA2BCYP19A1CYP2C9 | |
| SCHEMBL8699531 | 0.72 | ADRB2 (0.41) | HRH3ADRB2NCF1PLD1ITGB3 | |
| Hydrochloric Acid SCHEMBL8838185 | 0.69 | ADRB2 (0.41) | HRH3ADRB2NCF1PLD1ITGB3 | |
| SCHEMBL8838149 | 0.69 | ITGB3 (0.39) | HRH3ADRB2NCF1PLD1ITGB3 | |
| Hydrochloric Acid SCHEMBL8838053 | 0.69 | ADRB2 (0.39) | HRH3ADRB2NCF1PLD1ITGB3 | |
| SCHEMBL7401896 | 0.69 | HRH3 (0.62) | HRH3ADRB2NCF1PLD1ITGB3 | |
| SCHEMBL8605444 | 0.69 | HRH3 (0.56) | HRH3ITGB3ITGA2BCYP19A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL8838040 | 0.69 | ADRB2 (0.38) | HRH3ADRB2NCF1PLD1ITGB3 | |
| SCHEMBL8637046 | 0.68 | ADRB2 (0.42) | HRH3ADRB2NCF1PLD1ITGB3 |
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 |