Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 6/20 | 0.45 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.41 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9245838 | 0.88 | CYP3A4 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL17601239 | 0.85 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL30623193 | 0.85 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL16896834 | 0.82 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL5860050 | 0.79 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL5860134 | 0.77 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL26417909 | 0.77 | ERN1 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL1957586 | 0.74 | EGFR (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL30345264 | 0.74 | EGFR (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL9243890 | 0.73 | ALDH1A1 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 |
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-20080221161-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2008-09-11 | — | — | US | disclosed |
| US-20080221161-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2008-09-11 | — | — | US | disclosed |
| US-20080221161-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2008-09-11 | — | — | US | disclosed |
| WO-2008097976-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2008-08-14 | — | — | WO | disclosed |
| WO-2008097976-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2008-08-14 | — | — | 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-20080221161-A1 | HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE | GPR119, GPBAR1, LDLR | CYP1A2 2019/4885CYP3A4 2088/4885CYP2D6 2500/4885 |
“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.