Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.34 |
| ▸ | ADH1B | P00325 | 1/20 | 0.30 |
| ▸ | ADH1C | P00326 | 1/20 | 0.30 |
| ▸ | ADH1A | P07327 | 1/20 | 0.30 |
| ▸ | ADH4 | P08319 | 1/20 | 0.30 |
| ▸ | ADH7 | P40394 | 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 | |
|---|---|---|---|---|
| SCHEMBL12498152 | 0.97 | CYP1A2 (0.41) | CYP1A2SIGMAR1ADH1BADH1CADH1A | |
| SCHEMBL6021518 | 0.97 | CYP1A2 (0.41) | CYP1A2SIGMAR1ADH1BADH1CADH1A | |
| SCHEMBL9450346 | 0.86 | CYP1A2 (0.42) | CYP1A2SIGMAR1ADH1BADH1CADH1A | |
| SCHEMBL6877800 | 0.83 | CYP1A2 (0.46) | CYP1A2SIGMAR1ADH1BADH1CADH1A | |
| SCHEMBL6897791 | 0.80 | CYP1A2 (0.39) | CYP1A2SIGMAR1 | |
| SCHEMBL6766085 | 0.80 | ADH1B (0.36) | CYP1A2SIGMAR1ADH1BADH1CADH1A | |
| SCHEMBL3848698 | 0.77 | ADH1B (0.40) | CYP1A2SIGMAR1ADH1BADH1CADH1A | |
| SCHEMBL2021416 | 0.77 | ADH1B (0.40) | CYP1A2SIGMAR1ADH1BADH1CADH1A | |
| SCHEMBL6873949 | 0.77 | ADH1B (0.40) | CYP1A2SIGMAR1ADH1BADH1CADH1A | |
| SCHEMBL2369995 | 0.77 | CYP1A2 (0.46) | CYP1A2SIGMAR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2667870-A1 | SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2013-12-04 | — | — | EP | disclosed |
| EP-2668167-A1 | AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2013-12-04 | — | — | EP | disclosed |
| WO-2013041119-A1 | N-[4-(1H-PYRAZOLO[3,4-B]PYRAZIN-6-YL)-PHENYL]-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2013-03-28 | — | — | WO | disclosed |
| WO-2013037388-A1 | SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2013-03-21 | — | — | WO | disclosed |
| WO-2012101199-A1 | AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101197-A1 | SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | SANOFI (FR) | 2012-08-02 | — | — | WO | disclosed |