Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NFKBIA | P25963 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4422634 | 0.90 | CYP2D6 (0.43) | CYP2D6CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL6526208 | 0.89 | CYP2D6 (0.42) | CYP2D6CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL6905652 | 0.81 | L3MBTL1 (0.46) | KDM4EALDH1A1GLO1TP53GAA | |
| SCHEMBL4419693 | 0.75 | CYP2D6 (0.47) | CYP2D6CYP2C9CYP2C19ALDH1A1TSHR | |
| Ammonia Solution, Strong SCHEMBL4433535 | 0.75 | POLB (0.40) | CYP2C9CYP2C19KDM4EALDH1A1NFKBIA | |
| SCHEMBL4551954 | 0.74 | CYP2D6 (0.58) | CYP2D6CYP2C9CYP2C19ALDH1A1TSHR | |
| Ammonia Solution, Strong SCHEMBL4432295 | 0.74 | MAPT (0.42) | CYP2D6CYP2C9CYP2C19KDM4EALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL4423287 | 0.74 | RECQL (0.38) | CYP2D6CYP2C9CYP2C19KDM4EALDH1A1 | |
| SCHEMBL4433532 | 0.74 | POLB (0.38) | CYP2C9CYP2C19KDM4EALDH1A1NFKBIA | |
| SCHEMBL4432292 | 0.73 | MAPT (0.40) | CYP2D6CYP2C9CYP2C19KDM4EALDH1A1 |
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-2004048393-A2 | NOVEL INHIBITORS OF β-LACTAMASE | METHYLGENE, INC. (CA) | 2004-06-10 | — | — | WO | disclosed |