Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MPI | P34949 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PDE9A | O76083 | 6/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13954524 | 0.84 | KDM4E (0.38) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL5626803 | 0.81 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL13413934 | 0.78 | KDM4E (0.36) | CYP1A2CYP2C19KDM4EKMT2AAURKA | |
| SCHEMBL13394574 | 0.76 | KDM4E (0.38) | CYP1A2CYP2C19KDM4EKMT2AAURKA | |
| SCHEMBL5625733 | 0.76 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL3261271 | 0.72 | ERN1 (0.36) | ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL5133536 | 0.71 | KDM4E (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL19659453 | 0.70 | AURKA (0.41) | KDM4EKMT2AAURKACDK1AURKB | |
| SCHEMBL5626526 | 0.69 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL19531870 | 0.67 | PIK3CD (0.38) | KDM4EKMT2AAURKACDK1AURKB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010016846-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2010-02-11 | — | — | WO | disclosed |
| WO-2010016846-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2010-02-11 | — | — | WO | disclosed |
| US-20090054304-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2009-02-26 | — | — | US | disclosed |
| US-20090054304-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2009-02-26 | — | — | 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 (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-20090054304-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | GPBAR1, GPR119, PLAAT5 | CYP1A2 1823/4885CYP3A4 1820/4885CYP2D6 2011/4885 |
“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.