Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4264360 | 1.00 | CYP2C19 (0.50) | CYP2C19FFAR2SMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL4265668 | 0.84 | CYP2C19 (0.71) | CYP2C19FFAR2SMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL5879290 | 0.84 | CYP2C19 (0.51) | CYP2C19FFAR2SMN1; SMN2TGM2HTT | |
| SCHEMBL960592 | 0.84 | CYP2C19 (0.71) | CYP2C19FFAR2SMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL13946462 | 0.84 | FFAR2 (0.52) | CYP2C19FFAR2HDAC4HDAC7HDAC5 | |
| SCHEMBL6423644 | 0.82 | CYP2C19 (0.73) | CYP2C19FFAR2SMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL6423647 | 0.82 | CYP2C19 (0.73) | CYP2C19FFAR2SMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL13945718 | 0.81 | CYP2C19 (0.49) | CYP2C19HDAC4HDAC7HDAC5MEN1 | |
| SCHEMBL4257537 | 0.79 | CYP2C19 (0.46) | CYP2C19FFAR2SMN1; SMN2HDAC3HDAC4 | |
| SCHEMBL28608516 | 0.78 | CYP2C19 (0.57) | CYP2C19SMN1; SMN2HTTALDH1A1HPGD |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1497265-B1 | COMPOUNDS HAVING AFFINITY AT 5HT2C RECEPTOR AND USE THEREOF IN THERAPY | GLAXO GROUP LTD (GB) | 2009-02-18 | — | — | EP | disclosed |
| EP-1636221-A2 | NEW AZETIDINE COMPOUNDS | AstraZeneca AB (SE) | 2006-03-22 | — | — | EP | disclosed |
| EP-1077942-B1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2004110344-A2 | NEW AZETIDINE COMPOUNDS | ASTRAZENECA AB (SE) | 2004-12-23 | — | — | WO | 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 |