Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.77 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.77 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.77 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.77 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | PDE2A | O00408 | 1/20 | 0.56 |
| ▸ | PDE5A | O76074 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | APEX1 | P27695 | 1/20 | 0.56 |
| ▸ | PDE4A | P27815 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10126979 | 0.86 | ALDH1A1 (0.63) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL17690611 | 0.83 | ALDH1A1 (0.63) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL16305330 | 0.78 | ALDH1A1 (0.67) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL10126926 | 0.77 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL10156599 | 0.77 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL25220638 | 0.74 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL3042630 | 0.74 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL29744710 | 0.74 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL328460 | 0.74 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL15725834 | 0.74 | ALDH1A1 (0.64) | ALDH1A1KMT2AGAASMN1; SMN2HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9487491-B2 | Diamino heterocyclic carboxamide compound | ASTELLAS PHARMA INC. (JP) | 2016-11-08 | — | — | US | disclosed |
| US-8969336-B2 | Diamino heterocyclic carboxamide compound | ASTELLAS PHARMA INC. (JP) | 2015-03-03 | — | — | US | disclosed |
| US-20140371196-A1 | DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND | ASTELLAS PHARMA INC. (JP) | 2014-12-18 | — | — | 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-20140371196-A1 | DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND | EML4, ALK, ERBB4 | ALDH1A1 1554/4885CYP3A4 3570/4885CYP2C19 3950/4885 |
“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.