Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 8/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL17495270 | 1.00 | CA12 (0.42) | CA12CA9KEAP1NFE2L2ATM | |
| SCHEMBL19224063 | 0.84 | CTRB1 (0.43) | SMN1; SMN2KMT2AMEN1NPSR1CYP2C19 | |
| SCHEMBL20956739 | 0.74 | CA12 (0.42) | CA12CA9KEAP1NFE2L2ATM | |
| SCHEMBL20956740 | 0.74 | CA12 (0.42) | CA12CA9KEAP1NFE2L2ATM | |
| SCHEMBL20956786 | 0.71 | HRH3 (0.48) | CA12CA9KEAP1NFE2L2ATM | |
| SCHEMBL5430075 | 0.71 | HRH3 (0.48) | CA12CA9KEAP1NFE2L2ATM | |
| SCHEMBL15541653 | 0.70 | CYP1A2 (0.47) | CA12CA9ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL21193627 | 0.70 | ALDH1A1 (0.40) | CA12CA9KEAP1ALDH1A1CYP1A2 | |
| SCHEMBL29239217 | 0.70 | ALDH1A1 (0.40) | CA12CA9KEAP1ALDH1A1CYP1A2 | |
| SCHEMBL29239214 | 0.70 | ALDH1A1 (0.40) | CA12CA9KEAP1ALDH1A1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3180332-A1 | DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS | Eolas Therapeutics Inc. (US) | 2017-06-21 | — | — | EP | disclosed |
| WO-2016025669-A1 | DIFLUOROPYRROLIDINES AS OREXIN RECEPTOR MODULATORS | EOLAS THERAPEUTICS, INC. (US) | 2016-02-18 | — | — | WO | disclosed |