Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7050550 | 0.73 | SIGMAR1 (0.39) | SLC6A3HPGDMEN1KMT2ACYP1A2 | |
| SCHEMBL5686699 | 0.73 | SLC6A3 (0.45) | SLC6A3KCNN4KEAP1NFE2L2MEN1 | |
| SCHEMBL4009225 | 0.73 | KCNN4 (0.55) | ALDH1A1KCNN4GAAMEN1KMT2A | |
| SCHEMBL8762920 | 0.73 | ALDH1A1 (0.41) | SLC6A3ALDH1A1MEN1KMT2ACHRM2 | |
| SCHEMBL14233517 | 0.71 | SLC6A3 (0.61) | SLC6A3ALDH1A1HPGDGAAKMT2A | |
| SCHEMBL1743566 | 0.71 | SLC6A3 (0.61) | SLC6A3ALDH1A1HPGDGAAKMT2A | |
| SCHEMBL14211627 | 0.71 | SLC6A3 (0.61) | SLC6A3ALDH1A1HPGDGAAKMT2A | |
| SCHEMBL4013121 | 0.71 | KCNN4 (0.49) | SLC6A3ALDH1A1KCNN4KEAP1NFE2L2 | |
| SCHEMBL29198498 | 0.71 | EPHX2 (0.36) | SLC6A3ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL29925426 | 0.71 | EPHX2 (0.36) | SLC6A3ALDH1A1HPGDMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1781617-A4 | ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARMACEUTICA NV (BE) | 2009-06-24 | — | — | EP | disclosed |
| EP-1781617-A2 | ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006004742-A2 | α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARAMCEUTICA N.V. (BE) | 2006-01-12 | — | — | WO | disclosed |
| US-20060004195-A1 | Alpha,beta-unsaturated esters and acids by stereoselective dehydration | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-01-05 | — | — | 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-20060004195-A1 | Alpha,beta-unsaturated esters and acids by stereoselective dehydration | CCKAR, CCKBR, FFAR1 | SLC6A3 2319/4885ALDH1A1 597/4885KCNN4 2499/4885 |
“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.