Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4338997 | 0.90 | BRD4 (0.46) | SMN1; SMN2BRD4KAT2BMAPTTHRB | |
| SCHEMBL4349060 | 0.87 | SMN1; SMN2 (0.42) | SMN1; SMN2BRD4KAT2BMAPTNPSR1 | |
| SCHEMBL4353820 | 0.80 | SMN1; SMN2 (0.38) | SMN1; SMN2MAPTNPSR1CES2TP53 | |
| SCHEMBL4236185 | 0.79 | SMN1; SMN2 (0.67) | SMN1; SMN2MAPTNPSR1ALDH1A1CYP1A2 | |
| SCHEMBL4242353 | 0.78 | SMN1; SMN2 (0.50) | SMN1; SMN2MAPTNPSR1ALDH1A1CYP1A2 | |
| SCHEMBL4233963 | 0.78 | SMN1; SMN2 (0.48) | SMN1; SMN2MAPTNPSR1TP53ALDH1A1 | |
| SCHEMBL4201370 | 0.78 | SMN1; SMN2 (0.50) | SMN1; SMN2MAPTNPSR1ALDH1A1CYP1A2 | |
| SCHEMBL4735977 | 0.77 | SMN1; SMN2 (0.48) | SMN1; SMN2MAPTNPSR1TP53PARP1 | |
| SCHEMBL4201369 | 0.77 | SMN1; SMN2 (0.44) | SMN1; SMN2MAPTNPSR1CES2TP53 | |
| SCHEMBL4195763 | 0.76 | SMN1; SMN2 (0.48) | SMN1; SMN2MAPTNPSR1ALDH1A1CYP1A2 |
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 5 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 |
| 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 | SMN1; SMN2 3183/4885BRD4 2047/4885KAT2B 3006/4885 |
“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.