Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ACSL1 | P33121 | 2/20 | 0.35 |
| ▸ | ACSL3 | O95573 | 1/20 | 0.35 |
| ▸ | ACSL6 | Q9UKU0 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CDC14B | O60729 | 1/20 | 0.35 |
| ▸ | CDC14A | Q9UNH5 | 1/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | ITGAL | P20701 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5018006 | 0.84 | CYP19A1 (0.49) | CYP19A1CYP11B1CYP11B2ACSL1ACSL3 | |
| SCHEMBL7707536 | 0.82 | CYP19A1 (0.43) | CYP19A1CYP11B1CYP11B2CYP2C19NFKB1 | |
| SCHEMBL5022607 | 0.81 | CYP19A1 (0.48) | CYP19A1CYP11B1CYP11B2CYP2C19ACSL1 | |
| SCHEMBL8298197 | 0.79 | CYP19A1 (0.47) | CYP19A1CYP11B1CYP11B2CYP2C19ACSL1 | |
| SCHEMBL8272708 | 0.79 | CYP19A1 (0.42) | CYP19A1CYP11B1CYP11B2HTT | |
| SCHEMBL7712071 | 0.76 | CA1 (0.44) | CA1CA2NFKB1CA4CDC14B | |
| SCHEMBL8271921 | 0.74 | GAA (0.44) | CYP19A1CYP11B1CYP11B2HTT | |
| SCHEMBL5016456 | 0.74 | PDE4B (0.51) | CYP19A1CYP11B1CYP11B2PDE4BPDE4A | |
| SCHEMBL10550909 | 0.71 | CA1 (0.50) | CA1CA2NFKB1CA4CDC14B | |
| SCHEMBL5016445 | 0.70 | CYP19A1 (0.46) | CYP19A1CYP11B1CYP11B2CYP2C19PDE4B |
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-2011132051-A2 | TRICYCLE COMPOUNDS AS PHOSPHODIESTERASE-10 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-10-27 | — | — | WO | disclosed |