Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2331462 | 0.89 | CSNK2A1 (0.50) | NPSR1LMNAHSD17B10MAPTMAPK1 | |
| SCHEMBL3634147 | 0.85 | MAPT (0.56) | LMNATSHRSMN1; SMN2MAPTMAPK1 | |
| SCHEMBL5035870 | 0.84 | LMNA (0.71) | NPSR1LMNAHSD17B10HPGDTSHR | |
| SCHEMBL3636996 | 0.83 | DHODH (0.59) | NPSR1LMNAHSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL3410480 | 0.83 | MEN1 (0.48) | NPSR1LMNAHSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL3412246 | 0.81 | SYK (0.42) | SMN1; SMN2MAPTKDM4ERAB9ANPC1 | |
| SCHEMBL2329626 | 0.81 | MAPT (0.45) | NPSR1LMNASMN1; SMN2MAPTKDM4E | |
| SCHEMBL3406529 | 0.81 | MEN1 (0.41) | NPSR1LMNAHSD17B10HPGDTSHR | |
| SCHEMBL3409867 | 0.80 | MEN1 (0.41) | NPSR1LMNAHSD17B10HPGDSMN1; SMN2 | |
| SCHEMBL3637687 | 0.80 | DHODH (0.52) | NPSR1LMNASMN1; SMN2MAPTKDM4E |
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-2355817-A1 | HETEROCYCLIC GAMMA SECRETASE MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-08-17 | — | — | EP | disclosed |
| WO-2010052199-A1 | HETEROCYCLIC GAMMA SECRETASE MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-14 | — | — | WO | disclosed |