Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 7/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.42 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20178664 | 0.81 | HDAC6 (0.51) | HDAC6HDAC8SRD5A2SRD5A1MAPK1 | |
| SCHEMBL17560164 | 0.81 | NOTUM (0.61) | ALDH1A1HDAC6HDAC8MYCAKR1C3 | |
| SCHEMBL30839551 | 0.80 | ALDH1A1 (0.61) | ALDH1A1HDAC6HDAC8MYCAKR1C3 | |
| SCHEMBL3313430 | 0.80 | ALDH1A1 (0.61) | ALDH1A1HDAC6HDAC8MYCAKR1C3 | |
| Hydrochloric Acid SCHEMBL3313566 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HDAC6HDAC8MYCAKR1C3 | |
| SCHEMBL3440252 | 0.77 | ALDH1A1 (0.67) | ALDH1A1HDAC6MYCSRD5A2SRD5A1 | |
| SCHEMBL28052395 | 0.77 | MYC (0.56) | ALDH1A1HDAC6HDAC8MYCAKR1C3 | |
| SCHEMBL20173793 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HDAC6HDAC8MYCAKR1C3 | |
| SCHEMBL7788367 | 0.76 | ITGB3 (0.58) | ALDH1A1AKR1C3AKR1C1KDM4EPOLB | |
| SCHEMBL17869203 | 0.76 | ALDH1A1 (0.51) | ALDH1A1HDAC6AKR1C3AKR1C1SRD5A2 |
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 2185/4885HDAC6 597/4885HDAC8 1166/4885 |
| US-10597391-B2 | Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof | NR1H4, FXR1, SLC10A1 | ALDH1A1 2185/4885HDAC6 597/4885HDAC8 1166/4885 |
“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.