Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.55 |
| ▸ | BCL9 | O00512 | 4/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 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 | |
|---|---|---|---|---|
| SCHEMBL542709 | 0.84 | GRIN2B (0.52) | GRIN2BKMT2AMEN1NPSR1GAA | |
| SCHEMBL27675677 | 0.84 | SMN1; SMN2 (0.48) | GRIN2BKMT2AMEN1NPSR1SMN1; SMN2 | |
| SCHEMBL148277 | 0.84 | SCN5A (0.50) | KMT2AMEN1NPSR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL542683 | 0.84 | MEN1 (0.58) | GRIN2BKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL27694192 | 0.84 | MEN1 (0.50) | GRIN2BKMT2AMEN1NPSR1GAA | |
| Hydrochloric Acid SCHEMBL357497 | 0.83 | SCN5A (0.49) | GRIN2BKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL3037782 | 0.82 | SMN1; SMN2 (0.54) | GRIN2BKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL27617565 | 0.82 | MAOB (0.46) | GRIN2BKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL543032 | 0.81 | KMT2A (0.48) | GRIN2BKMT2AMEN1NPSR1ALDH1A1 | |
| SCHEMBL4678826 | 0.81 | GRIN2B (0.52) | GRIN2BKMT2AMEN1NPSR1GAA |
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 |