Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.46 |
| ▸ | BRD1 | O95696 | 1/20 | 0.45 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19627388 | 0.85 | KDM4E (0.51) | KDM4ETDP1NLRP3ALDH1A1CA12 | |
| SCHEMBL19630913 | 0.84 | TDP1 (0.56) | KDM4ETDP1NLRP3ALDH1A1CA12 | |
| SCHEMBL19630993 | 0.81 | KDM4E (0.50) | KDM4ETDP1NLRP3ALDH1A1CA12 | |
| SCHEMBL15865553 | 0.81 | RAB9A (0.67) | NLRP3ALDH1A1CA12CA1CA2 | |
| SCHEMBL19631062 | 0.81 | KDM4E (0.56) | KDM4ETDP1NLRP3ALDH1A1CA12 | |
| SCHEMBL19627395 | 0.81 | KDM4E (0.52) | KDM4ETDP1NLRP3ALDH1A1CA12 | |
| SCHEMBL19627414 | 0.81 | ALDH1A1 (0.55) | KDM4ETDP1NLRP3ALDH1A1CA12 | |
| SCHEMBL10154039 | 0.80 | PNMT (0.64) | KDM4ETDP1ALDH1A1CA12CA1 | |
| SCHEMBL18029637 | 0.80 | NLRP3 (0.74) | NLRP3 | |
| SCHEMBL2003399 | 0.80 | FBP1 (0.58) | KDM4ETDP1ALDH1A1CA12CA1 |
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-20170334894-A1 | Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof | ENANTA PHARMACEUTICALS, INC. | 2017-11-23 | — | — | US | disclosed |
| US-20170333399-A1 | Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof | ENANTA PHARMACEUTICALS, INC. | 2017-11-23 | — | — | 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-20170334894-A1 | Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof | SLC10A1, FXR1, NR1H4 | KDM4E 4418/4885TDP1 3945/4885NLRP3 1396/4885 |
| US-20170333399-A1 | Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof | SLC10A1, FXR1, SLC10A2 | KDM4E 4467/4885TDP1 3899/4885NLRP3 1255/4885 |
“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.