Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.55 |
| ▸ | JAK2 | O60674 | 2/20 | 0.40 |
| ▸ | JAK1 | P23458 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 7/20 | 0.34 |
| ▸ | CCR2 | P41597 | 7/20 | 0.34 |
| ▸ | CCR4 | P51679 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL27605964 | 0.85 | CYP19A1 (0.67) | CYP19A1HTR1ACCR1CCR2CCR4 | |
| SCHEMBL8727126 | 0.82 | CYP19A1 (0.55) | CYP19A1JAK2JAK1HTR1ACCR1 | |
| SCHEMBL13201552 | 0.80 | CYP19A1 (0.80) | CYP19A1HTR1ACCR1CCR2CCR4 | |
| SCHEMBL8722521 | 0.74 | CYP11B1 (0.58) | CYP19A1CYP3A4 | |
| SCHEMBL4564456 | 0.73 | CYP19A1 (0.69) | CYP19A1HTR1ACYP3A4 | |
| SCHEMBL29820095 | 0.73 | CYP19A1 (0.69) | CYP19A1CCR1CCR2CCR4CYP3A4 | |
| SCHEMBL10194241 | 0.72 | CYP19A1 (0.67) | CYP19A1HTR1AKLKB1 | |
| SCHEMBL16129814 | 0.72 | CYP19A1 (0.67) | CYP19A1HTR1A | |
| SCHEMBL6881194 | 0.72 | CYP19A1 (0.67) | CYP19A1HTR1ACCR1CCR2CCR4 | |
| SCHEMBL3153071 | 0.72 | CYP19A1 (0.67) | CYP19A1HTR1ACYP3A4KLKB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832091-A1 | C-4' MODIFIED ADENOSINE KINASE INHIBITORS | GENSIA, INC. (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040705-A1 | C-4' MODIFIED ADENOSINE KINASE INHIBITORS | GENSIA SICOR (US) | 1996-12-19 | — | — | WO | disclosed |