Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.41 |
| ▸ | INSR | P06213 | 2/20 | 0.40 |
| ▸ | IGF1R | P08069 | 2/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.40 |
| ▸ | FGFR3 | P22607 | 4/20 | 0.35 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.35 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10156639 | 0.85 | ALDH1A1 (0.42) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16305330 | 0.81 | ALDH1A1 (0.67) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29520387 | 0.79 | EML4 (0.43) | ALKFGFR3EGFRGAAROS1 | |
| SCHEMBL10157222 | 0.79 | EML4 (0.43) | ALKFGFR3EGFRGAAROS1 | |
| SCHEMBL10156599 | 0.78 | ALDH1A1 (0.46) | CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10157374 | 0.74 | ALDH1A1 (0.42) | ALDH1A1ALKFGFR3EGFRGAA | |
| SCHEMBL10157197 | 0.74 | HTR1A (0.45) | ALDH1A1FGFR3FGFR1FGFR2FGFR4 | |
| SCHEMBL10157382 | 0.73 | ALDH1A1 (0.44) | ALDH1A1FGFR3GAAKCNH2 | |
| SCHEMBL26702336 | 0.73 | GAA (0.46) | ALDH1A1INSRIGF1RALKFGFR3 | |
| SCHEMBL25195906 | 0.72 | HTR6 (0.40) | CYP3A4ALDH1A1CYP1A2CYP2C19INSR |
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 | CYP3A4 3570/4885ALDH1A1 1554/4885CYP1A2 4614/4885 |
“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.