Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.45 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL17690611 | 0.86 | ALDH1A1 (0.63) | ALDH1A1KMT2ACYP3A4CYP2C19CYP1A2 | |
| SCHEMBL16305331 | 0.86 | ALDH1A1 (0.77) | ALDH1A1KMT2ACYP3A4CYP2C19CYP1A2 | |
| SCHEMBL10126926 | 0.80 | ALDH1A1 (0.69) | ALDH1A1KMT2ACYP3A4CYP2C19CYP1A2 | |
| SCHEMBL29354408 | 0.78 | ALDH1A1 (0.58) | ALDH1A1KMT2ACYP3A4CYP2C19CYP1A2 | |
| SCHEMBL10126971 | 0.78 | ALDH1A1 (0.58) | ALDH1A1KMT2ACYP3A4CYP2C19CYP1A2 | |
| SCHEMBL25220638 | 0.77 | ALDH1A1 (0.69) | ALDH1A1KMT2ACYP3A4CYP2C19CYP1A2 | |
| SCHEMBL3042630 | 0.77 | ALDH1A1 (1.00) | ALDH1A1KMT2ACYP3A4CYP2C19CYP1A2 | |
| SCHEMBL328460 | 0.77 | ALDH1A1 (0.65) | ALDH1A1KMT2ACYP3A4CYP2C19CYP1A2 | |
| SCHEMBL29744710 | 0.77 | ALDH1A1 (1.00) | ALDH1A1KMT2ACYP3A4CYP2C19CYP1A2 | |
| SCHEMBL15725834 | 0.77 | ALDH1A1 (0.64) | ALDH1A1KMT2ASMN1; SMN2HTTLMNA |
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 4 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 |
| 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 (2 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 1554/4885KMT2A 103/4885CYP3A4 3570/4885 |
| US-20120040968-A1 | DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND | EML4, ALK, ERBB4 | ALDH1A1 1554/4885KMT2A 103/4885CYP3A4 3570/4885 |
“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.