Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6511991 | 0.85 | AKR1C3 (0.51) | PTGS2AKR1C3AKR1C2MAOBAKR1C1 | |
| SCHEMBL3798734 | 0.84 | PTGS2 (0.45) | PTGS2LMNAMEN1ALDH1A1KMT2A | |
| SCHEMBL5146326 | 0.83 | PTGS2 (0.52) | PTGS2LMNAMEN1ALDH1A1KMT2A | |
| SCHEMBL6532532 | 0.80 | AKR1C3 (0.50) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL6510946 | 0.80 | SRC (0.50) | PTGS2ALDH1A1AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL6514821 | 0.79 | AKR1C3 (0.51) | AKR1C3AKR1C2 | |
| SCHEMBL6511293 | 0.79 | AKR1C3 (0.43) | PTGS2KMT2AAKR1C3AKR1C2 | |
| SCHEMBL7004051 | 0.78 | HSD17B10 (0.49) | MEN1ALDH1A1KMT2ATSHR | |
| SCHEMBL6510520 | 0.77 | AKR1C3 (0.53) | PTGS2MEN1ALDH1A1KMT2AAKR1C3 | |
| SCHEMBL6509348 | 0.74 | TDP1 (0.43) | PTGS2LMNAMEN1ALDH1A1KMT2A |
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 |