Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | BLM | P54132 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL3212513 | 0.75 | AKR1C3 (0.50) | AKR1C3AKR1C1HSD11B1CYP2D6LMNA | |
| SCHEMBL3212519 | 0.75 | AKR1C3 (0.50) | AKR1C3AKR1C1HSD11B1CYP2D6LMNA | |
| SCHEMBL4983462 | 0.75 | AKR1C3 (0.50) | AKR1C3AKR1C1HSD11B1CYP2D6LMNA | |
| SCHEMBL608579 | 0.73 | — | — | |
| SCHEMBL15840887 | 0.70 | ALDH1A1 (0.36) | AKR1C3AKR1C1HSD11B1CYP1A2CYP2C19 | |
| SCHEMBL8363900 | 0.70 | AKR1C3 (0.37) | AKR1C3AKR1C1TSHR | |
| SCHEMBL275220 | 0.67 | AKR1C3 (0.37) | AKR1C3AKR1C1CYP2D6LMNABLM | |
| SCHEMBL10764783 | 0.67 | AKR1C3 (0.37) | AKR1C3AKR1C1CYP2D6LMNABLM | |
| SCHEMBL7860288 | 0.67 | AKR1C3 (0.37) | AKR1C3AKR1C1CYP2D6LMNABLM | |
| SCHEMBL2141358 | 0.67 | AKR1C3 (0.37) | AKR1C3AKR1C1CYP2D6LMNABLM |
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-2673272-A1 | MICROBIOCIDAL PYRAZOLE DERIVATIVES | Syngenta Participations AG (CH) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012107477-A1 | MICROBIOCIDAL PYRAZOLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-08-16 | — | — | WO | disclosed |