Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4240220 | 0.92 | ALDH1A1 (0.51) | ALDH1A1CYP1A2GAACYP2D6CYP2C9 | |
| SCHEMBL4244091 | 0.86 | ALDH1A1 (0.53) | ALDH1A1CYP1A2GAACYP2D6CYP2C9 | |
| SCHEMBL4236185 | 0.73 | SMN1; SMN2 (0.67) | ALDH1A1CYP1A2GAACYP2D6CYP2C9 | |
| SCHEMBL4238366 | 0.72 | CASR (0.56) | ALDH1A1CYP1A2GAACYP2D6CYP2C9 | |
| SCHEMBL4236253 | 0.71 | SMN1; SMN2 (0.59) | ALDH1A1CYP1A2GAACYP2D6CYP2C9 | |
| SCHEMBL4958251 | 0.69 | MAPT (0.69) | ALDH1A1CYP1A2GAACYP2D6CYP2C9 | |
| SCHEMBL14161046 | 0.68 | ADRA1A (0.55) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL4240606 | 0.67 | ABCC1 (0.44) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL30724532 | 0.66 | EGFR (0.85) | ALDH1A1MAPTKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL4241261 | 0.66 | MDM2 (0.51) | ALDH1A1CYP2C9CYP2C19MAPTKMT2A |
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 3192/4885CYP1A2 1598/4885GAA 1099/4885 |
“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.