Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3604547 | 0.88 | ALDH1A1 (0.49) | ALDH1A1DRD2PNMTNAMPTHTR1A | |
| SCHEMBL20178702 | 0.87 | NAMPT (0.52) | ALDH1A1POLBHDAC8HDAC6NAMPT | |
| SCHEMBL7788367 | 0.85 | ITGB3 (0.58) | ALDH1A1POLBITGB3ITGA2BDRD2 | |
| SCHEMBL10120332 | 0.84 | HDAC6 (0.62) | HDAC8HDAC6 | |
| SCHEMBL20178679 | 0.84 | ACACB (0.59) | ALDH1A1HRH3ACACBHDAC8HDAC6 | |
| SCHEMBL27490478 | 0.83 | ALDH1A1 (0.49) | ALDH1A1POLBITGB3ITGA2BAKR1C3 | |
| SCHEMBL27774602 | 0.82 | ALDH1A1 (0.49) | ALDH1A1ITGB3ITGA2BDRD2AKR1C3 | |
| SCHEMBL4239488 | 0.81 | MEN1 (0.61) | ALDH1A1POLBLTA4HHDAC6HTR1A | |
| SCHEMBL3350732 | 0.80 | DRD2 (0.59) | ALDH1A1DRD2LTA4HMYCHTR1A | |
| SCHEMBL3313430 | 0.80 | ALDH1A1 (0.61) | ALDH1A1DRD2DRD1AKR1C3HDAC8 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10597391-B2 | Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2020-03-24 | — | — | US | disclosed |
| US-20180141941-A1 | UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2018-05-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20180141941-A1 | UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | NR1H4, FXR1, SLC10A1 | ALDH1A1 2185/4885HRH3 582/4885POLB 3868/4885 |
| US-10597391-B2 | Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof | NR1H4, FXR1, SLC10A1 | ALDH1A1 2185/4885HRH3 582/4885POLB 3868/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.