Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.51 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.45 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.45 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 2/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.38 |
| ▸ | F3 | P13726 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 2/20 | 0.38 |
| ▸ | CASR | P41180 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 4/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4240089 | 0.87 | ALDH1A1 (0.56) | ALDH1A1MDM2NTRK1NTRK3NTRK2 | |
| SCHEMBL4238065 | 0.87 | ALDH1A1 (0.65) | ALDH1A1MDM2NTRK1SMN1; SMN2HPGD | |
| SCHEMBL4238635 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MDM2SMN1; SMN2PDE2APDE10A | |
| SCHEMBL4233303 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MDM2SMN1; SMN2PDE2APDE10A | |
| SCHEMBL4236257 | 0.79 | ALDH1A1 (0.70) | ALDH1A1MDM2SMN1; SMN2HPGDNPSR1 | |
| SCHEMBL4233248 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MDM2SMN1; SMN2HPGDNPSR1 | |
| SCHEMBL4235794 | 0.78 | ALDH1A1 (0.56) | ALDH1A1MDM2SMN1; SMN2HPGDNPSR1 | |
| SCHEMBL4237530 | 0.76 | SMN1; SMN2 (0.73) | ALDH1A1MDM2SMN1; SMN2HPGDNPSR1 | |
| SCHEMBL4237239 | 0.74 | SMN1; SMN2 (0.61) | ALDH1A1MDM2NTRK1SMN1; SMN2HPGD | |
| SCHEMBL4238052 | 0.73 | ALDH1A1 (0.62) | ALDH1A1MDM2SMN1; SMN2HPGDNPSR1 |
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 4740/4885NTRK1 4282/4885 |
“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.