Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 10/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11338813 | 0.98 | KCNH2 (0.56) | KCNH2ALDH1A1LIPGHTTABCB11 | |
| SCHEMBL29192036 | 0.98 | KCNH2 (0.56) | KCNH2ALDH1A1LIPGHTTABCB11 | |
| SCHEMBL9440072 | 0.98 | KCNH2 (0.56) | KCNH2ALDH1A1LIPGHTTABCB11 | |
| SCHEMBL1462481 | 0.98 | KCNH2 (0.56) | KCNH2ALDH1A1LIPGHTTABCB11 | |
| SCHEMBL1461158 | 0.98 | KCNH2 (0.56) | KCNH2ALDH1A1LIPGHTTABCB11 | |
| SCHEMBL5234381 | 0.94 | KCNH2 (0.46) | KCNH2ALDH1A1CFTRLMNAHTT | |
| SCHEMBL2552339 | 0.86 | ALDH1A1 (0.46) | KCNH2ALDH1A1CFTRLMNAHTT | |
| SCHEMBL14732897 | 0.86 | ALDH1A1 (0.48) | KCNH2ALDH1A1LMNAHTT | |
| SCHEMBL3942383 | 0.81 | ALDH1A1 (0.42) | KCNH2ALDH1A1CFTRLMNAHTT | |
| SCHEMBL8241097 | 0.80 | ALDH1A1 (0.42) | KCNH2ALDH1A1LMNAHTTACHE |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106660967-A | Process for the cycloaddition of a hetero(aryl) 1,3-dipole compound with a (hetero)cycloalkyne | 西纳福克斯股份有限公司 | 2017-05-10 | — | — | CN | disclosed |
| US-20080132698-A1 | Use of N-oxide compounds in coupling reactions | UNIVERSITY OF OTTAWA | 2008-06-05 | — | — | 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-20080132698-A1 | Use of N-oxide compounds in coupling reactions | CYP4X1, CYP4F3, CYP1A2 | KCNH2 490/4885ALDH1A1 1518/4885LIPG 4487/4885 |
“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.