Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.67 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3373182 | 1.00 | AKR1C1 (0.67) | AKR1C1AKR1C3AKR1C2KMT2AMEN1 | |
| SCHEMBL19031900 | 0.87 | CYP11B2 (0.53) | AKR1C1KMT2AMEN1ALDH1A1HCAR2 | |
| SCHEMBL19031899 | 0.87 | CYP11B2 (0.53) | AKR1C1KMT2AMEN1ALDH1A1HCAR2 | |
| SCHEMBL3373196 | 0.86 | AKR1C1 (0.67) | AKR1C1AKR1C3AKR1C2KMT2AMEN1 | |
| SCHEMBL8646375 | 0.83 | AKR1C1 (0.68) | AKR1C1AKR1C3AKR1C2KMT2AMEN1 | |
| SCHEMBL8646379 | 0.83 | AKR1C1 (0.68) | AKR1C1AKR1C3AKR1C2KMT2AMEN1 | |
| SCHEMBL39275 | 0.81 | AKR1C1 (1.00) | AKR1C1AKR1C3AKR1C2KMT2AMEN1 | |
| SCHEMBL181529 | 0.81 | AKR1C1 (1.00) | AKR1C1AKR1C3AKR1C2KMT2AMEN1 | |
| SCHEMBL290469 | 0.81 | AKR1C1 (1.00) | AKR1C1AKR1C3AKR1C2KMT2AMEN1 | |
| SCHEMBL19031901 | 0.80 | ALDH1A1 (0.51) | AKR1C1KMT2AMEN1ALDH1A1HCAR2 |
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-2010038081-A2 | HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF | ASTRAZENECA AB (SE) | 2010-04-08 | — | — | WO | disclosed |