Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CLK1 | P49759 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | ULK1 | O75385 | 1/20 | 0.31 |
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 SCHEMBL27659509 | 0.84 | HPRT1 (0.41) | KIF11CYP11B1CYP11B2KDM4EALDH1A1 | |
| Isoquinoline SCHEMBL27760368 | 0.83 | HPRT1 (0.40) | KIF11CYP11B1CYP11B2KDM4ENCOA3 | |
| Isoquinoline SCHEMBL27770787 | 0.82 | NCOA3 (0.35) | KIF11CYP11B1CYP11B2KDM4ESMN1; SMN2 | |
| Isoquinoline SCHEMBL28753569 | 0.82 | NCOA3 (0.35) | KIF11CYP11B1CYP11B2KDM4EALDH1A1 | |
| Isoquinoline SCHEMBL27679468 | 0.82 | KIF11 (0.36) | KIF11NR3C1NCOA3TRPV1 | |
| Isoquinoline SCHEMBL27338940 | 0.81 | HPRT1 (0.39) | KIF11CYP11B1KDM4EALDH1A1MAPT | |
| Isoquinoline SCHEMBL27851462 | 0.81 | NCOA3 (0.35) | KIF11CYP11B1CYP11B2KDM4EALDH1A1 | |
| Isoquinoline SCHEMBL27749876 | 0.81 | CYP11B1 (0.39) | KIF11CYP11B1CYP11B2KDM4EALDH1A1 | |
| Quinoxaline SCHEMBL27654904 | 0.81 | KIF11 (0.39) | KIF11KDM4EALDH1A1NR3C1BACE1 | |
| SCHEMBL28192423 | 0.80 | HPRT1 (0.40) | KIF11CYP11B1CYP11B2KDM4EALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101146808-B | Phenyl methanone derivatives and their use as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE | 2011-10-12 | — | — | CN | disclosed |
| CN-102020697-A | Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of hcv replication | INTERMUNE INC | 2011-04-20 | — | — | CN | disclosed |
| CN-101146808-A | Phenyl methanone derivatives and their use as glycine transporter 1 inhibitors | HOFFMANN LA ROCHE (CH) | 2008-03-19 | — | — | CN | disclosed |
| CN-1938311-A | Macrocyclic compounds as inhibitors of viral replication | INTERMUNE INC (US) | 2007-03-28 | — | — | CN | disclosed |
| CN-1889970-A | Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication | INTERMUNE INC (US) | 2007-01-03 | — | — | CN | disclosed |