Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6039744 | 0.89 | HSPA5 (0.48) | HSPA5ALDH1A1TSHRLMNAGAA | |
| SCHEMBL6349436 | 0.89 | HSPA5 (0.48) | HSPA5ALDH1A1TSHRLMNAGAA | |
| SCHEMBL6356731 | 0.76 | GABRA1 (0.37) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| Butylated Hydroxytoluene SCHEMBL2162145 | 0.76 | ALDH1A1 (0.50) | HSPA5ALDH1A1TSHRLMNACYP1A2 | |
| SCHEMBL25477939 | 0.73 | HSPA5 (0.53) | HSPA5ALDH1A1TSHRLMNAGAA | |
| SCHEMBL2177579 | 0.73 | HSPA5 (0.53) | HSPA5ALDH1A1TSHRLMNAGAA | |
| SCHEMBL11549682 | 0.72 | ALDH1A1 (0.34) | HSPA5ALDH1A1TSHRLMNAGAA | |
| SCHEMBL39434 | 0.71 | HSPA5 (0.74) | HSPA5ALDH1A1TSHRLMNAGAA | |
| SCHEMBL1930161 | 0.71 | HSPA5 (0.52) | HSPA5ALDH1A1TSHRLMNAGAA | |
| SCHEMBL28409879 | 0.70 | HSPA5 (0.50) | HSPA5ALDH1A1TSHRLMNAGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050070542-A1 | 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds | NEUROGEN CORPORATION | 2005-03-31 | — | — | 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-20050070542-A1 | 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds | CRHR1, HTR5A, HTR1D | HSPA5 1050/4885ALDH1A1 1664/4885TSHR 284/4885 |
“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.