Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PRNP | P04156 | 1/20 | 0.31 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10155996 | 0.78 | CYP3A4 (0.41) | ALDH1A1CYP3A4MCOLN3CYP1A2CYP2D6 | |
| SCHEMBL16305331 | 0.77 | ALDH1A1 (0.77) | ALDH1A1CYP3A4MCOLN3CYP1A2CYP2D6 | |
| SCHEMBL10156829 | 0.70 | HTR3E (0.41) | ALDH1A1CYP2C19GAALMNATP53 | |
| SCHEMBL17774584 | 0.68 | ALDH1A1 (0.61) | ALDH1A1CYP3A4MCOLN3CYP1A2CYP2D6 | |
| SCHEMBL17774586 | 0.67 | ALDH1A1 (0.64) | ALDH1A1CYP3A4MCOLN3CYP1A2CYP2D6 | |
| SCHEMBL17774554 | 0.67 | ALDH1A1 (0.64) | ALDH1A1CYP3A4MCOLN3CYP1A2CYP2D6 | |
| SCHEMBL10157809 | 0.67 | LMNA (0.43) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL17774610 | 0.66 | MAPT (0.54) | ALDH1A1CYP3A4MCOLN3CYP1A2CYP2D6 | |
| SCHEMBL13067712 | 0.65 | ADRA2A (0.41) | ALDH1A1HTTLMNATP53SMN1; SMN2 | |
| SCHEMBL17774574 | 0.65 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MCOLN3CYP1A2CYP2D6 |
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-20120040968-A1 | DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND | WATERS TECHNOLOGIES CORPORATION (US) | 2012-02-16 | — | — | 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-20120040968-A1 | DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND | EML4, ALK, ERBB4 | ALDH1A1 1554/4885CYP3A4 3570/4885MCOLN3 2528/4885 |
“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.