Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.39 |
| ▸ | VNN1 | O95497 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | PIK3C2A | O00443 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
| ▸ | PLK2 | Q9NYY3 | 1/20 | 0.35 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.35 |
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 | 0.86 | ALDH1A1 (0.41) | KDM4EALDH1A1POLBGAAVNN1 | |
| SCHEMBL4194151 | 0.82 | KDM4E (0.37) | KDM4EALDH1A1POLBVNN1CYP11B1 | |
| SCHEMBL4201010 | 0.81 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2CYP1A2CYP2C9HPGD | |
| SCHEMBL4242386 | 0.78 | SMN1; SMN2 (0.63) | KDM4EALDH1A1POLBGAASMN1; SMN2 | |
| SCHEMBL4200373 | 0.75 | SMN1; SMN2 (0.44) | ALDH1A1POLBGAASMN1; SMN2HTR7 | |
| SCHEMBL4202613 | 0.73 | SMN1; SMN2 (0.48) | ALDH1A1POLBSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL4195763 | 0.72 | SMN1; SMN2 (0.48) | KDM4EALDH1A1POLBGAASMN1; SMN2 | |
| SCHEMBL13951438 | 0.72 | SMN1; SMN2 (0.48) | KDM4EALDH1A1POLBGAASMN1; SMN2 | |
| SCHEMBL4194316 | 0.70 | AOC3 (0.37) | KDM4EALDH1A1POLBCYP1A2CYP2C9 | |
| SCHEMBL4200494 | 0.70 | SMN1; SMN2 (0.48) | POLBSMN1; SMN2CYP1A2CYP2C9CYP2C19 |
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 | KDM4E 3848/4885ALDH1A1 2426/4885POLB 4715/4885 |
“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.