Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 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 | |
|---|---|---|---|---|
| SCHEMBL22236820 | 0.85 | ALDH1A1 (0.40) | ALDH1A1KDM4ESMN1; SMN2TDP1CYP11B2 | |
| SCHEMBL22236812 | 0.82 | CYP11B2 (0.51) | ALDH1A1KDM4ESMN1; SMN2TDP1CYP11B2 | |
| SCHEMBL22236774 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KDM4ESMN1; SMN2TDP1CYP11B2 | |
| SCHEMBL18791083 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KDM4ESMN1; SMN2TDP1CYP11B2 | |
| SCHEMBL18791006 | 0.77 | CYP11B2 (0.42) | ALDH1A1KDM4ESMN1; SMN2TDP1CYP11B2 | |
| SCHEMBL23679948 | 0.74 | CYP11B2 (0.53) | ALDH1A1KDM4ESMN1; SMN2TDP1CYP11B2 | |
| SCHEMBL23862112 | 0.71 | CHRM5 (0.62) | ALDH1A1KDM4ESMN1; SMN2TDP1MEN1 | |
| SCHEMBL18790986 | 0.69 | CYP11B2 (0.65) | ALDH1A1KDM4ESMN1; SMN2TDP1CYP11B2 | |
| SCHEMBL12890282 | 0.69 | ALDH1A1 (0.70) | ALDH1A1KDM4ESMN1; SMN2TDP1MEN1 | |
| SCHEMBL12082132 | 0.69 | GFER (0.57) | ALDH1A1KDM4ESMN1; SMN2TDP1MEN1 |
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-10717731-B2 | Nitrogen-containing aromatic heterocyclic compound | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2020-07-21 | — | — | US | disclosed |
| WO-2017069226-A1 | NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND | 田辺三菱製薬株式会社 | 2017-04-27 | — | — | 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-10717731-B2 | Nitrogen-containing aromatic heterocyclic compound | REN, NR3C2, NR5A1 | ALDH1A1 1495/4885KDM4E 2819/4885SMN1; SMN2 4151/4885 |
“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.