Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6062779 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP2D6CYP2C9CYP2C19PDK1 | |
| SCHEMBL1171777 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP2D6CYP2C9CYP2C19PDK1 | |
| SCHEMBL8074120 | 0.90 | PDK1 (0.40) | CYP2D6PDK1ALDH1A1CA2NLRP3 | |
| SCHEMBL2982559 | 0.86 | CYP2C19 (0.46) | CYP1A2CYP2D6CYP2C9CYP2C19CA2 | |
| SCHEMBL27692298 | 0.84 | PDK1 (0.35) | PDK1ALDH1A1CA2NLRP3OPRK1 | |
| SCHEMBL2224287 | 0.83 | ALDH1A1 (0.37) | PDK1ALDH1A1 | |
| SCHEMBL16320900 | 0.81 | PDK1 (0.34) | PDK1CA2 | |
| SCHEMBL16365768 | 0.81 | PDK1 (0.34) | PDK1CA2 | |
| SCHEMBL3221090 | 0.81 | CA2 (0.33) | PDK1CA2 | |
| SCHEMBL574108 | 0.81 | PDK1 (0.34) | PDK1CA2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1700854-B1 | Intermediates for the preparation of 2-(6-substituted-1,3-dioxane-4-yl) acetic acid derivatives | ASTRAZENECA UK LTD (GB) | 2012-05-23 | — | — | EP | disclosed |
| US-20110251406-A1 | PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED-1,-3-DIOXANE-4-YL) ACETIC ACID DERIVATIVES | ASTRAZENECA UK LTD. (GB) | 2011-10-13 | — | — | US | disclosed |
| US-7989643-B2 | Process for the preparation of 2-(6-substituted-1,3-dioxane-4-yl)acetic acid derivatives | ASTRAZENECA UK LTD. (GB) | 2011-08-02 | — | — | US | disclosed |
| US-20100136339-A1 | Process for the Preparation of 2-(6-Substituted-1,3-Dioxane-4-yl)Acetic Acid Derivatives | ASTRAZENECA UK LTD. (GB) | 2010-06-03 | — | — | US | disclosed |
| US-7642363-B2 | Process for the preparation of 2-(6-substituted-1,3-dioxane-4-YL) acetic acid derivatives | ASTRAZENECA UK LTD. (GB) | 2010-01-05 | — | — | US | disclosed |
| EP-1317440-B1 | PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED-1,3-DIOXANE-4-YL)ACETIC ACID DERIVATIVES | ASTRAZENECA UK LTD (GB) | 2006-09-27 | — | — | EP | disclosed |
| EP-1700854-A1 | Process for the preparation of 2-(6-substituted-1,3-dioxane-4-yl) acetic acid derivatives | AstraZeneca UK Limited (GB) | 2006-09-13 | — | — | EP | disclosed |
| US-20050148785-A1 | Process for the preparation of 2-(6-substituted-1,-3-dioxane-4-YL) acetic acid derivatives | ASTRAZENECA UK LTD. | 2005-07-07 | — | — | US | disclosed |
| US-6870059-B2 | Process for the preparation of 2-(6-substituted-1,-3-dioxane-4-yl)acetic acid derivatives | ASTRAZENECA UK LTD. (GB) | 2005-03-22 | — | — | US | disclosed |
| US-20030158426-A1 | Process for the preparation of 2-(6-subtituted-1,-3-dioxane-4-yl)acetic acid derivatives | ASTRAZENECA UK LTD. (GB) | 2003-08-21 | — | — | US | disclosed |
| US-5594153-A | REACTING 6-HALO-3,5-DIHYDROXYHEXANOIC ACID OR DERIVATIVE THEREOF WITH DIETHER, KETONE OR UNSATURATED ETHER TO FORM 1,3-DIOXANE DERIVATIVE | E. R. SQUIBB & SONS, INC. (US) | 1997-01-14 | — | — | US | disclosed |
| US-5457227-A | Condensing halo-substituted hydroxy ester with acetic acid, acetate salt or ester in presence of condensation agent to produce halo-substituted hydroxy keto ester | E. R. SQUIBB & SONS, INC. (US) | 1995-10-10 | — | — | US | disclosed |
| US-5278313-A | Chemical condensation reaction | E. R. SQUIBB & SONS, INC. (US) | 1994-01-11 | — | — | 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 (4 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-20050148785-A1 | Process for the preparation of 2-(6-substituted-1,-3-dioxane-4-YL) acetic acid derivatives | HMGCR, ACOX3, STARD3 | CYP1A2 284/4885CYP2D6 407/4885CYP2C9 508/4885 |
| US-20100136339-A1 | Process for the Preparation of 2-(6-Substituted-1,3-Dioxane-4-yl)Acetic Acid Derivatives | HMGCR, STARD3, ACOX3 | CYP1A2 302/4885CYP2D6 492/4885CYP2C9 590/4885 |
| US-20110251406-A1 | PROCESS FOR THE PREPARATION OF 2-(6-SUBSTITUTED-1,-3-DIOXANE-4-YL) ACETIC ACID DERIVATIVES | HMGCR, ACOX3, STARD3 | CYP1A2 278/4885CYP2D6 399/4885CYP2C9 505/4885 |
| US-20030158426-A1 | Process for the preparation of 2-(6-subtituted-1,-3-dioxane-4-yl)acetic acid derivatives | HMGCR, SRD5A1, CYP11A1 | CYP1A2 275/4885CYP2D6 388/4885CYP2C9 511/4885 |
“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.