Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.60 |
| ▸ | HPGD | P15428 | 8/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5907292 | 0.81 | ALDH1A1 (0.57) | ALDH1A1HPGDKDM4EL3MBTL1POLB | |
| SCHEMBL5907247 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HPGDKDM4EL3MBTL1POLB | |
| SCHEMBL5907408 | 0.79 | MAPT (0.64) | ALDH1A1HPGDKDM4EL3MBTL1POLB | |
| SCHEMBL5907343 | 0.78 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EL3MBTL1POLB | |
| SCHEMBL5907235 | 0.78 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EL3MBTL1POLB | |
| SCHEMBL5907303 | 0.78 | ALDH1A1 (0.47) | ALDH1A1KDM4EL3MBTL1POLBMEN1 | |
| SCHEMBL5907311 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EL3MBTL1POLB | |
| SCHEMBL5907243 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HPGDKDM4EL3MBTL1POLB | |
| SCHEMBL5907288 | 0.77 | PTGS2 (0.36) | MEN1KMT2ASMN1; SMN2RAB9ANPC1 | |
| SCHEMBL27653952 | 0.77 | MAP4K1 (0.43) | ALDH1A1HPGDKDM4EL3MBTL1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-20060264419-A1 | Substituted pyrazoles | MERCK PATENT GMBH (DE) | 2006-11-23 | — | — | US | disclosed |
| CN-1768051-A | Substituted pyrazoles | MERCK PATENT GMBH (DE) | 2006-05-03 | — | — | CN | 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-20060264419-A1 | Substituted pyrazoles | HTR3A, HTR1A, HTR1D | ALDH1A1 1287/4885HPGD 1370/4885KDM4E 3944/4885 |
“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.