Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.39 |
| ▸ | ERN1 | O75460 | 3/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | PRKCG | P05129 | 1/20 | 0.36 |
| ▸ | PRKCB | P05771 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.36 |
| ▸ | PRKCH | P24723 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2556718 | 0.90 | CYP17A1 (0.39) | ERN1CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL2556489 | 0.86 | CYP19A1 (0.40) | CYP19A1CYP11B1CYP11B2ALDH1A1MAPT | |
| SCHEMBL2556065 | 0.84 | PDE4B (0.43) | IDO1TDO2CYP17A1CYP19A1CYP11B1 | |
| SCHEMBL2562773 | 0.83 | HPGD (0.41) | IDO1TDO2CYP1A1CYP1B1PDE4A | |
| SCHEMBL2560821 | 0.83 | HPGD (0.41) | IDO1TDO2CYP1A1CYP1B1PDE4A | |
| SCHEMBL1647979 | 0.81 | MAOA (0.52) | CYP17A1CYP19A1CYP11B1CYP11B2PDE4B | |
| SCHEMBL2560102 | 0.80 | ERN1 (0.43) | IDO1TDO2ERN1CYP17A1CYP19A1 | |
| SCHEMBL2556731 | 0.79 | CCNC (0.42) | CYP1A1CYP1B1CYP1A2MAPTLMNA | |
| SCHEMBL13233338 | 0.76 | PDE4A (0.36) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3724543 | 0.75 | MAOA (0.57) | CYP17A1CYP19A1CYP11B1CYP11B2ALDH1A1 |
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 |