Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 9/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 3/20 | 0.37 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 SCHEMBL27770812 | 0.91 | CYP11B1 (0.48) | CYP11B1CYP11B2CYP17A1CYP19A1GPR84 | |
| Isoquinoline SCHEMBL27749876 | 0.91 | CYP11B1 (0.39) | CYP11B1CYP11B2KDM4ERAB9AALDH1A1 | |
| Isoquinoline SCHEMBL27749878 | 0.87 | CYP11B1 (0.37) | CYP11B1CYP11B2KDM4ETNFLMNA | |
| Isoquinoline SCHEMBL27770797 | 0.85 | CYP11B1 (0.52) | CYP11B1CYP11B2CYP17A1CYP19A1GPR84 | |
| Isoquinoline SCHEMBL27721458 | 0.83 | CYP11B1 (0.33) | CYP11B1CYP11B2CYP19A1KDM4EALDH1A1 | |
| Isoquinoline SCHEMBL27770787 | 0.82 | NCOA3 (0.35) | CYP11B1CYP11B2KDM4ESMN1; SMN2HTT | |
| Isoquinoline SCHEMBL27659509 | 0.82 | HPRT1 (0.41) | CYP11B1CYP11B2CYP19A1KDM4EALDH1A1 | |
| Isoquinoline SCHEMBL28753569 | 0.82 | NCOA3 (0.35) | CYP11B1CYP11B2KDM4EALDH1A1MAPT | |
| Isoquinoline SCHEMBL27338940 | 0.81 | HPRT1 (0.39) | CYP11B1KDM4EALDH1A1MAPTTNF | |
| Isoquinoline SCHEMBL27760368 | 0.81 | HPRT1 (0.40) | CYP11B1CYP11B2CYP19A1KDM4EHTT |
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-101501036-A | Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine | MERZ PHARMA GMBH & CO KGAA (DE) | 2009-08-05 | — | — | CN | disclosed |