Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 13/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.49 |
| ▸ | USP2 | O75604 | 11/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4202613 | 0.85 | SMN1; SMN2 (0.48) | CYP1A2CYP3A4USP2CYP2C9MAPK1 | |
| SCHEMBL4193513 | 0.82 | SMN1; SMN2 (0.50) | CYP1A2CYP3A4USP2CYP2C9MAPK1 | |
| SCHEMBL4194181 | 0.80 | ALDH1A1 (0.41) | CYP1A2CYP3A4USP2CYP2C9MAPK1 | |
| SCHEMBL4233295 | 0.79 | SMN1; SMN2 (0.53) | CYP1A2CYP3A4USP2CYP2C9MAPK1 | |
| SCHEMBL4237651 | 0.79 | SMN1; SMN2 (0.67) | CYP1A2CYP3A4CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL4357822 | 0.78 | TRPA1 (0.40) | CYP1A2CYP3A4USP2CYP2C9MAPK1 | |
| SCHEMBL4194208 | 0.77 | SMN1; SMN2 (0.46) | CYP1A2CYP3A4USP2CYP2C9MAPK1 | |
| SCHEMBL4233197 | 0.76 | SMN1; SMN2 (0.48) | CYP1A2CYP3A4CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL4239826 | 0.76 | SMN1; SMN2 (0.57) | SMN1; SMN2ALDH1A1HTTMEN1KMT2A | |
| SCHEMBL4237411 | 0.76 | SMN1; SMN2 (0.54) | MAPK1SMN1; SMN2ALDH1A1HTTLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090105124-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| US-20090105124-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| US-20090105124-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-04-23 | — | — | US | disclosed |
| WO-2009026241-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-02-26 | — | — | WO | 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-20090105124-A1 | HETEROCYCLIC MODULATORS OF TGR5 | GPBAR1, GPR119, GRK5 | CYP1A2 2694/4885CYP3A4 2487/4885USP2 2761/4885 |
“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.