Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 9/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 9/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | MELK | Q14680 | 1/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 SCHEMBL8838142 | 0.90 | ADRB2 (0.41) | ADRB2NCF1PLD1ITGB3ITGA2B | |
| SCHEMBL8838135 | 0.89 | ADRB2 (0.40) | ADRB2NCF1PLD1ITGB3ITGA2B | |
| SCHEMBL8631565 | 0.79 | ADRB2 (0.44) | ADRB2NCF1PLD1ITGB3ITGA2B | |
| SCHEMBL8633904 | 0.76 | ADRB2 (0.36) | ADRB2NCF1PLD1ITGB3ITGA2B | |
| SCHEMBL8637046 | 0.76 | ADRB2 (0.42) | ADRB2NCF1PLD1ITGB3ITGA2B | |
| SCHEMBL8699932 | 0.76 | GAA (0.42) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| Hydrochloric Acid SCHEMBL8838080 | 0.76 | ADRB2 (0.53) | ADRB2NCF1PLD1ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL8479996 | 0.76 | GNAI3 (0.34) | ITGB3ITGA2B | |
| SCHEMBL8632681 | 0.75 | ADRB2 (0.43) | ADRB2NCF1PLD1ITGB3ITGA2B | |
| SCHEMBL8633913 | 0.74 | HRH3 (0.35) | ADRB2NCF1PLD1ITGB3ITGA2B |
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 |