Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | SMO | Q99835 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2003468 | 0.84 | AR (0.48) | SMOCYP1A2SMN1; SMN2ARNPC1 | |
| SCHEMBL5206995 | 0.77 | SMO (0.58) | ALDH1A1NPSR1SMOL3MBTL1MEN1 | |
| SCHEMBL1999864 | 0.72 | CYP2C9 (0.50) | ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31500050 | 0.72 | SMN1; SMN2 (0.56) | ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11247967 | 0.71 | CYP2C9 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19PTGS2 | |
| SCHEMBL2001301 | 0.69 | P2RX7 (0.42) | ALDH1A1NPSR1SMOCYP1A2CYP2C9 | |
| SCHEMBL1997120 | 0.69 | ALDH1A1 (0.53) | ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1195159 | 0.65 | CYP2C9 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19PDE4D | |
| SCHEMBL1999559 | 0.65 | SMO (0.65) | SMOCYP1A2MAPTARMEN1 | |
| SCHEMBL1999485 | 0.65 | NR3C2 (0.40) | ALDH1A1NPSR1CYP1A2CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1611094-B1 | PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-20 | — | — | EP | disclosed |
| US-20060276650-A1 | Pyrazole compounds | MERCK PATENT GMBH (DE) | 2006-12-07 | — | — | 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-20060276650-A1 | Pyrazole compounds | HTR1D, HTR1A, HTR3A | ALDH1A1 1220/4885NPSR1 21/4885SMO 3168/4885 |
“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.