Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 5/20 | 0.36 |
| ▸ | CHUK | O15111 | 3/20 | 0.35 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CCND1 | P24385 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL27749908 | 0.94 | CYP11B1 (0.39) | CYP11B1TNFALOX5HASPINKDM4E | |
| Isoquinoline SCHEMBL27770797 | 0.92 | CYP11B1 (0.52) | CYP11B1ALOX5KDM4ECYP11B2GPR84 | |
| SCHEMBL27491265 | 0.89 | KIF11 (0.43) | CYP11B1ALOX5KDM4EALDH1A1MAPT | |
| SCHEMBL27830828 | 0.85 | CYP11B1 (0.35) | CYP11B1ALOX5KDM4EALDH1A1MAPT | |
| Isoquinoline SCHEMBL27611513 | 0.83 | NCOA3 (0.35) | CYP11B1KDM4EALDH1A1CYP11B2KIF11 | |
| SCHEMBL27748354 | 0.83 | ALDH1A1 (0.47) | CYP11B1ALOX5KDM4EALDH1A1MAPT | |
| Isoquinoline SCHEMBL28791581 | 0.82 | NCOA3 (0.34) | CYP11B1KDM4EALDH1A1CYP11B2KIF11 | |
| Isoquinoline SCHEMBL27640918 | 0.82 | NCOA3 (0.34) | CYP11B1KDM4ECYP11B2KIF11CLK1 | |
| Isoquinoline SCHEMBL27679477 | 0.82 | KDM4E (0.45) | CYP11B1KDM4EALDH1A1CYP11B2KIF11 | |
| Isoquinoline SCHEMBL27510953 | 0.82 | NCOA3 (0.34) | CYP11B1HASPINKDM4ECYP11B2KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102076686-A | Diketopiperidine derivatives as HIV attachment inhibitors | BRISTOL MYERS SQUIBB CO | 2011-05-25 | — | — | CN | disclosed |