Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.34 |
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL2813524 | 0.87 | ACHE (0.52) | ACHECA9MAPTALDH1A1KDM4E | |
| SCHEMBL129762 | 0.82 | ACHE (0.57) | ACHECA9PTPN1RAPGEF4MAPT | |
| SCHEMBL5855500 | 0.74 | — | — | |
| SCHEMBL13083360 | 0.73 | ACHE (0.48) | ACHEPTPN1RAPGEF4MAPTL3MBTL1 | |
| SCHEMBL10196604 | 0.73 | ACHE (0.76) | ACHECA9PTPN1MAPTL3MBTL1 | |
| SCHEMBL7505197 | 0.72 | ACHE (0.40) | ACHECA9MAPTALDH1A1KDM4E | |
| SCHEMBL359079 | 0.71 | ALDH1A1 (0.48) | ACHEPTPN1MAPTL3MBTL1NR3C1 | |
| SCHEMBL9061948 | 0.71 | ACHE (0.36) | ACHECA9MAPTTDP1TUBB1 | |
| SCHEMBL5085895 | 0.71 | MAPT (0.51) | ACHEMAPTL3MBTL1ALDH1A1LMNA | |
| SCHEMBL258788 | 0.71 | ACHE (0.46) | ACHEPTPN1RAPGEF4MAPTL3MBTL1 |
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-2414330-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | Merck Patent GmbH (DE) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010115491-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2010-10-14 | — | — | WO | disclosed |