Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | KDM5A | P29375 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4194181 | 0.88 | ALDH1A1 (0.41) | SMN1; SMN2ADORA2ALMNAMAPTHPGD | |
| SCHEMBL4200373 | 0.82 | SMN1; SMN2 (0.44) | SMN1; SMN2ADORA2AMAPTHPGDMAOB | |
| SCHEMBL4189608 | 0.81 | KDM4E (0.42) | SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL4200494 | 0.78 | SMN1; SMN2 (0.48) | SMN1; SMN2LMNAMAPTCES2HTT | |
| SCHEMBL4202613 | 0.74 | SMN1; SMN2 (0.48) | SMN1; SMN2LMNAMAPTALDH1A1HTT | |
| SCHEMBL4194316 | 0.73 | AOC3 (0.37) | DYRK1ACLK4LMNAHPGDALDH1A1 | |
| SCHEMBL4194122 | 0.72 | ALDH1A1 (0.35) | DYRK1ACLK4LMNAMAPTHPGD | |
| SCHEMBL4199192 | 0.70 | SMN1; SMN2 (0.48) | SMN1; SMN2LMNAMAPTHPGDCES2 | |
| SCHEMBL4198926 | 0.70 | SMN1; SMN2 (0.44) | SMN1; SMN2LMNAMAPTALDH1A1HTT | |
| SCHEMBL4202606 | 0.70 | NR1I3 (0.43) | SMN1; SMN2ADORA2AADORA1LMNAMAPT |
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 3183/4885DYRK1A 2758/4885CLK4 4594/4885 |
“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.