Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | NCF1 | P14598 | 1/20 | 0.41 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | MELK | Q14680 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8838190 | 0.82 | ADRB2 (0.40) | ADRB2NCF1PLD1HRH3ITGB3 | |
| Hydrochloric Acid SCHEMBL8838050 | 0.78 | ADRB2 (0.38) | ADRB2NCF1PLD1HRH3ITGB3 | |
| Hydrochloric Acid SCHEMBL8838018 | 0.77 | SLC6A2 (0.40) | ADRB2NCF1PLD1HRH3ITGB3 | |
| Hydrochloric Acid SCHEMBL8838104 | 0.77 | SLC6A2 (0.40) | ADRB2NCF1PLD1HRH3ITGB3 | |
| Hydrochloric Acid SCHEMBL8838140 | 0.77 | ADRB2 (0.47) | ADRB2NCF1PLD1HRH3ITGB3 | |
| Hydrochloric Acid SCHEMBL8485281 | 0.76 | — | — | |
| SCHEMBL8631574 | 0.76 | HRH3 (0.54) | ADRB2NCF1PLD1HRH3ITGB3 | |
| SCHEMBL8633669 | 0.76 | CYP2C9 (0.44) | HRH3ITGB3ITGA2BCYP2C9TSHR | |
| Hydrochloric Acid SCHEMBL8838040 | 0.76 | ADRB2 (0.38) | ADRB2NCF1PLD1HRH3ITGB3 | |
| SCHEMBL8837930 | 0.76 | SPHK1 (0.39) | ADRB2NCF1PLD1HRH3ITGB3 |
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 |