Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 6/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8632669 | 0.76 | HRH3 (0.48) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| SCHEMBL8837993 | 0.75 | HRH3 (0.48) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| SCHEMBL8837938 | 0.75 | CHKA (0.47) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| SCHEMBL6603738 | 0.75 | CYP2C9 (0.73) | CYP2C9TSHRMEN1KMT2ACYP3A4 | |
| Hydrochloric Acid SCHEMBL8838107 | 0.74 | HRH3 (0.47) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| SCHEMBL7398309 | 0.74 | ITGB3 (0.49) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| Hydrochloric Acid SCHEMBL8838098 | 0.74 | CHKA (0.46) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| SCHEMBL8838126 | 0.73 | CYP2C9 (0.51) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| SCHEMBL8635008 | 0.73 | ITGB3 (0.44) | ITGB3ITGA2BCYP2C9TSHRHRH3 | |
| Hydrochloric Acid SCHEMBL8838111 | 0.72 | CYP2C9 (0.50) | ITGB3ITGA2BCYP2C9TSHRHRH3 |
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 |