Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 7/20 | 0.47 |
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | CA1 | P00915 | 6/20 | 0.47 |
| ▸ | CA7 | P43166 | 6/20 | 0.47 |
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21556099 | 0.98 | ALDH1A1 (0.48) | ALDH1A1HTTCA2CA9CA1 | |
| SCHEMBL20474625 | 0.93 | ALDH1A1 (0.53) | ALDH1A1HTTCA2CA9CA1 | |
| SCHEMBL21556098 | 0.75 | ALDH1A1 (0.39) | ALDH1A1HTTPTGS2PTGS1TSHR | |
| SCHEMBL20475950 | 0.75 | CA2 (0.54) | ALDH1A1HTTCA2CA9CA1 | |
| SCHEMBL24595919 | 0.74 | ACHE (0.41) | ALDH1A1CA2CA9CA1TSHR | |
| SCHEMBL17861567 | 0.72 | THRB (0.46) | ALDH1A1HTTCA2CA9CA1 | |
| SCHEMBL1836787 | 0.72 | ESR2 (0.43) | ALDH1A1CA2CA9CA1CA12 | |
| SCHEMBL29050867 | 0.72 | DRD2 (0.50) | — | |
| SCHEMBL18477985 | 0.72 | POLB (0.40) | ALDH1A1TSHRHRH3 | |
| SCHEMBL13564264 | 0.71 | DRD2 (0.45) | TSHRCA4 |
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-10472386-B2 | Bile acid derivatives as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2019-11-12 | — | — | 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 (1 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-10472386-B2 | Bile acid derivatives as FXR agonists and methods of use thereof | NR1H4, GPBAR1, SLC10A1 | ALDH1A1 1993/4885HTT 3373/4885CA2 2359/4885 |
“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.