Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.34 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13639623 | 0.84 | KDM4E (0.52) | CYP11B2CYP11B1SLC6A4ERN1CXCL12 | |
| SCHEMBL12446099 | 0.83 | ERN1 (0.37) | CYP11B2CYP11B1SLC6A4ERN1CXCL12 | |
| SCHEMBL13639590 | 0.79 | CYP11B2 (0.32) | CYP11B2CYP11B1SLC6A4ERN1 | |
| SCHEMBL13639648 | 0.79 | TRPA1 (0.43) | CYP11B2CYP11B1SLC6A4CXCL12MAPT | |
| SCHEMBL12446116 | 0.79 | GRIN1 (0.43) | CYP11B2GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL12445945 | 0.78 | NPFFR2 (0.40) | CYP11B2CYP11B1SLC6A4CXCL12MAPT | |
| SCHEMBL13639614 | 0.78 | CXCL12 (0.34) | CYP11B2CYP11B1SLC6A4CXCL12NPC1 | |
| SCHEMBL12446542 | 0.76 | MAOB (0.42) | GRIN2BSMN1; SMN2NPC1RAB9ANFE2L2 | |
| SCHEMBL2151880 | 0.76 | CYP1A2 (0.44) | CYP11B2CYP11B1MAPTNPSR1KDM4E | |
| SCHEMBL2151888 | 0.76 | CYP1A2 (0.44) | CYP11B2CYP11B1MAPTNPSR1KDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2340021-B1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | HOFFMANN LA ROCHE (CH) | 2012-11-07 | — | — | EP | disclosed |