Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CDH1 | P12830 | 1/20 | 0.48 |
| ▸ | APC | P25054 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.48 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12187987 | 1.00 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4EGAAMAPT | |
| SCHEMBL12188011 | 0.99 | ALDH1A1 (0.52) | ALDH1A1HPGDKDM4EGAAMAPT | |
| SCHEMBL12188010 | 0.89 | CASP1 (0.52) | ALDH1A1HPGDKDM4EGAAMAPT | |
| SCHEMBL1458086 | 0.86 | SIRT1 (0.56) | ALDH1A1HPGDKDM4EGAAMAPT | |
| SCHEMBL1458918 | 0.86 | HPGD (0.66) | ALDH1A1HPGDKDM4EGAAMAPT | |
| SCHEMBL1457962 | 0.86 | HPGD (0.66) | ALDH1A1HPGDKDM4EGAAMAPT | |
| SCHEMBL1458615 | 0.86 | HPGD (0.66) | ALDH1A1HPGDKDM4EGAAMAPT | |
| SCHEMBL1458839 | 0.86 | HPGD (0.66) | ALDH1A1HPGDKDM4EGAAMAPT | |
| SCHEMBL1459222 | 0.85 | NAMPT (0.61) | ALDH1A1HPGDKDM4EGAAMAPT | |
| SCHEMBL1458549 | 0.85 | NAMPT (0.61) | ALDH1A1HPGDKDM4EGAAMAPT |
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-8912188-B2 | Substituted quinoxaline carboxylic acids for the inhibition of PASK | BIOENERGENIX, LLC (US) | 2014-12-16 | — | — | US | disclosed |
| US-20120232056-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | BIOENERGENIX (US) | 2012-09-13 | — | — | US | disclosed |
| WO-2012119046-A2 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | BIOENERGENIX (US) | 2012-09-07 | — | — | 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-20120232056-A1 | HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK | PASK, PDXK, PANK2 | ALDH1A1 3714/4885HPGD 824/4885KDM4E 3115/4885 |
“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.