Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCGR | P47871 | 13/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 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 | |
|---|---|---|---|---|
| SCHEMBL26978190 | 0.80 | KDM4E (0.38) | KDM4EHPGDSMN1; SMN2NPSR1ADORA2A | |
| SCHEMBL15508400 | 0.75 | NPSR1 (0.49) | KDM4EHPGDSMN1; SMN2NPSR1 | |
| SCHEMBL11443982 | 0.74 | ADORA2A (0.37) | ADORA2AADORA1 | |
| SCHEMBL5812516 | 0.72 | CCR2 (0.42) | KDM4EHPGDSMN1; SMN2NPSR1CCR2 | |
| SCHEMBL6026498 | 0.67 | CYP2D6 (0.36) | KDM4EHPGDSMN1; SMN2NPSR1 | |
| SCHEMBL18874069 | 0.67 | HTT (0.50) | KDM4EHPGDSMN1; SMN2NPSR1ADORA2A | |
| SCHEMBL27811592 | 0.66 | KDM4E (0.38) | KDM4EHPGDSMN1; SMN2NPSR1ADORA2A | |
| SCHEMBL12495771 | 0.66 | ADORA2A (0.40) | KDM4EHPGDSMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL12495474 | 0.66 | SMN1; SMN2 (0.46) | KDM4EHPGDSMN1; SMN2NPSR1ADORA2A | |
| SCHEMBL5324421 | 0.66 | HSP90AB1 (0.49) | KDM4EHPGDSMN1; SMN2NPSR1ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012071511-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | WO | disclosed |