Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.42 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17803167 | 1.00 | EPHX2 (0.49) | EPHX2RAB9ANPC1MEN1ALDH1A1 | |
| SCHEMBL11765759 | 0.81 | CA1 (0.55) | RAB9ANPC1MEN1ALDH1A1GAA | |
| SCHEMBL11765765 | 0.81 | CA1 (0.55) | RAB9ANPC1MEN1ALDH1A1GAA | |
| SCHEMBL5843519 | 0.80 | EPHX2 (0.49) | EPHX2RAB9ANPC1MEN1ALDH1A1 | |
| SCHEMBL2383847 | 0.80 | KMT2A (0.56) | EPHX2RAB9ANPC1MEN1ALDH1A1 | |
| SCHEMBL2383845 | 0.80 | KMT2A (0.56) | EPHX2RAB9ANPC1MEN1ALDH1A1 | |
| SCHEMBL9102812 | 0.80 | KMT2A (0.56) | EPHX2RAB9ANPC1MEN1ALDH1A1 | |
| SCHEMBL9723601 | 0.79 | CA1 (0.62) | EPHX2MEN1GAAMAPTKMT2A | |
| SCHEMBL9723609 | 0.79 | CA1 (0.62) | EPHX2MEN1GAAMAPTKMT2A | |
| SCHEMBL17803163 | 0.79 | NPSR1 (0.58) | RAB9ANPC1MEN1ALDH1A1GAA |
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-3227282-A1 | NOVEL PIPERIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2017-10-11 | — | — | EP | disclosed |
| WO-2016087352-A1 | NOVEL PIPERIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2016-06-09 | — | — | WO | disclosed |