Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL261786 | 0.89 | ESR1 (0.35) | GABRA1GABRB2CYP2C9 | |
| SCHEMBL15688635 | 0.78 | ALDH1A1 (0.36) | CYP1A2CYP3A4CYP2C9ALDH1A1ALOX15 | |
| SCHEMBL16083235 | 0.77 | — | — | |
| SCHEMBL1174164 | 0.75 | ESR1 (0.33) | — | |
| SCHEMBL261652 | 0.72 | CA1 (0.44) | CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL12348318 | 0.72 | HDAC8 (0.30) | — | |
| SCHEMBL8092896 | 0.72 | GABRA1 (0.48) | GABRA1GABRB2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4168980 | 0.72 | KDM4E (0.42) | ALDH1A1 | |
| SCHEMBL2670979 | 0.71 | NPC1 (0.34) | — | |
| SCHEMBL2224262 | 0.71 | RXRA (0.45) | CYP2C9ALDH1A1 |
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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1976512-B1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-09-30 | — | — | EP | disclosed |
| EP-1976512-B1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-09-30 | — | — | EP | disclosed |
| EP-2125797-B1 | AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2014-01-15 | — | — | EP | disclosed |
| US-8592460-B2 | Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-11-26 | — | — | US | disclosed |
| US-8580824-B2 | Pyridin-4-yl derivatives as immunomodulating agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-11-12 | — | — | US | disclosed |
| US-8580824-B2 | Pyridin-4-yl derivatives as immunomodulating agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-11-12 | — | — | US | disclosed |
| US-8580824-B2 | Pyridin-4-yl derivatives as immunomodulating agents | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-11-12 | — | — | US | disclosed |
| EP-2069335-B1 | PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-12-26 | — | — | EP | disclosed |
| EP-2069336-B1 | PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-12-26 | — | — | EP | disclosed |
| EP-2069336-B1 | PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-12-26 | — | — | EP | disclosed |
| WO-2008035239-A1 | PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-03-27 | — | — | WO | disclosed |
| WO-2008035239-A1 | PHENYL DERIVATIVES AND THEIR USE AS IMMUNOMODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-03-27 | — | — | WO | disclosed |
| WO-2008029306-A2 | THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008029306-A2 | THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008029370-A1 | PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008029370-A1 | PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008029371-A1 | PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008029371-A1 | PYRIDIN-4-YL DERIVATIVES AS IMMUNOMODULATING AGENTS | ACTELION PHARMACEUTICALS LTD (CH) | 2008-03-13 | — | — | WO | disclosed |
| WO-2007080542-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-07-19 | — | — | WO | disclosed |
| WO-2007080542-A1 | NOVEL THIOPHENE DERIVATIVES AS S1P1/EDG1 RECEPTOR AGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-07-19 | — | — | WO | disclosed |