Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CPN1 | P15169 | 1/20 | 0.39 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL960592 | 1.00 | CYP2C19 (0.71) | CYP2C19SMN1; SMN2PTGS1PTGS2CPN1 | |
| SCHEMBL4264360 | 0.84 | CYP2C19 (0.50) | CYP2C19SMN1; SMN2HDAC3HDAC4HDAC1 | |
| SCHEMBL6002239 | 0.84 | CYP2C19 (0.50) | CYP2C19SMN1; SMN2HDAC3HDAC4HDAC1 | |
| SCHEMBL11077670 | 0.84 | CYP2C19 (0.73) | CYP2C19PTGS1PTGS2CPN1CPB2 | |
| SCHEMBL5879152 | 0.84 | CYP2C19 (0.73) | CYP2C19PTGS1PTGS2CPN1CPB2 | |
| SCHEMBL7244501 | 0.84 | CYP2C19 (0.49) | CYP2C19PTGS1PTGS2CPN1CPB2 | |
| SCHEMBL1458050 | 0.83 | CYP2C19 (1.00) | CYP2C19SMN1; SMN2CPN1CPB2ALDH1A1 | |
| SCHEMBL1458057 | 0.83 | CYP2C19 (1.00) | CYP2C19SMN1; SMN2CPN1CPB2ALDH1A1 | |
| SCHEMBL666893 | 0.83 | CYP2C19 (1.00) | CYP2C19SMN1; SMN2CPN1CPB2ALDH1A1 | |
| SCHEMBL4022897 | 0.83 | CYP2C19 (0.67) | CYP2C19SMN1; SMN2PTGS1PTGS2CPN1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1636221-B1 | 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists | ALBIREO AB (SE) | 2009-08-12 | — | — | EP | disclosed |
| US-7402581-B2 | Azetidine compounds | ALBIREO AB (SE) | 2008-07-22 | — | — | US | disclosed |
| US-7247725-B2 | Gamma-aminoamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-07-24 | — | — | US | disclosed |
| US-7247725-B2 | Gamma-aminoamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-07-24 | — | — | US | disclosed |
| US-20060172988-A1 | Azetidine compounds | ALBIREO AB (SE) | 2006-08-03 | — | — | US | disclosed |
| EP-1077942-B1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2005-01-12 | — | — | EP | disclosed |
| US-6316445-B1 | TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. | 2001-11-13 | — | — | US | disclosed |
| EP-1077942-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059972-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-11-25 | — | — | WO | disclosed |
| US-5932571-A | Substituted N-methyl-N-(4-(4-(1H-benzimidazol-2-yl) {1,4}diazepan-1-yl)-2-(aryl) butyl) benzamides useful for the treatment of allergic diseases | HOECHST MARION ROUSSEL, INC. (US) | 1999-08-03 | — | — | 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-20060172988-A1 | Azetidine compounds | HRH2, HRH4, HRH1 | CYP2C19 9/4885SMN1; SMN2 3999/4885PTGS1 397/4885 |
“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.