Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.51 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6532532 | 0.87 | AKR1C3 (0.50) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL6510946 | 0.86 | SRC (0.50) | AKR1C3AKR1C2AKR1C1PTGS2 | |
| SCHEMBL6514821 | 0.85 | AKR1C3 (0.51) | AKR1C3AKR1C2FAAH | |
| SCHEMBL6511100 | 0.85 | PTGS2 (0.50) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL6510520 | 0.83 | AKR1C3 (0.53) | AKR1C3PTGS2CA1CA2 | |
| SCHEMBL3796213 | 0.82 | CA12 (0.48) | AKR1C3AKR1C2AKR1C1MAOBPTGS2 | |
| SCHEMBL6509348 | 0.80 | TDP1 (0.43) | AKR1C3AKR1C2MAOBPTGS2CA12 | |
| SCHEMBL6511293 | 0.79 | AKR1C3 (0.43) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL14668862 | 0.78 | CCR9 (0.44) | AKR1C3AKR1C2PTGS2 | |
| SCHEMBL7001550 | 0.77 | MAOB (0.49) | MAOBMGLLCA1CA2 |
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-2005051941-A1 | THIONE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | CJ CORPORATION (KR) | 2005-06-09 | — | — | WO | disclosed |