Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4241360 | 0.90 | ALDH1A1 (0.62) | ALDH1A1MDM2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4238037 | 0.89 | ALDH1A1 (0.52) | ALDH1A1MDM2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4238378 | 0.88 | ALDH1A1 (0.58) | ALDH1A1MDM2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4241395 | 0.88 | CYP1A2 (0.56) | ALDH1A1MDM2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4241283 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MDM2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4233248 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MDM2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4239817 | 0.87 | ALDH1A1 (0.61) | ALDH1A1MDM2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4240585 | 0.87 | CYP1A2 (0.55) | ALDH1A1MDM2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4237393 | 0.86 | ALDH1A1 (0.58) | ALDH1A1MDM2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4233391 | 0.86 | CYP1A2 (0.49) | ALDH1A1MDM2CYP1A2CYP2D6CYP2C9 |
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-20090035306-A1 | QUINAZOLINONE MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-02-05 | — | — | US | disclosed |
| US-20090035306-A1 | QUINAZOLINONE MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-02-05 | — | — | US | disclosed |
| US-20090035306-A1 | QUINAZOLINONE MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2009-02-05 | — | — | US | disclosed |
| WO-2008067219-A2 | QUINAZOLINONE MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |
| WO-2008067219-A2 | QUINAZOLINONE MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | 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-20090035306-A1 | QUINAZOLINONE MODULATORS OF TGR5 | GRK5, PLAAT5, GPBAR1 | ALDH1A1 3192/4885MDM2 4740/4885CYP1A2 1598/4885 |
“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.