Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL462578 | 0.90 | SMN1; SMN2 (0.41) | CYP3A4NR1I2ADORA3LMNATHRB | |
| SCHEMBL461920 | 0.83 | CYP3A4 (0.44) | CYP3A4NR1I2THRB | |
| SCHEMBL458296 | 0.82 | KDM4E (0.46) | LMNASMN1; SMN2KMT2AKDM4EALDH1A1 | |
| SCHEMBL470322 | 0.82 | PDE4A (0.39) | CYP3A4ADORA3LMNANPSR1KMT2A | |
| SCHEMBL461035 | 0.81 | NR1I2 (0.48) | NR1I2THRBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL15226886 | 0.81 | NR1I2 (0.48) | NR1I2THRBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL457945 | 0.80 | CYP3A4 (0.31) | CYP3A4 | |
| SCHEMBL15235302 | 0.77 | NR1I2 (0.45) | NR1I2THRBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL462362 | 0.76 | GPR119 (0.43) | CYP3A4NPSR1KMT2AKDM4EALDH1A1 | |
| SCHEMBL15226964 | 0.75 | NPC1 (0.47) | NR1I2SMN1; SMN2KDM4EALDH1A1RXFP1 |
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-2012033735-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |