Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.46 |
| ▸ | CYSLTR1 | Q9Y271 | 4/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.44 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 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 | |
|---|---|---|---|---|
| SCHEMBL8158285 | 1.00 | PTGS2 (0.71) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8158537 | 1.00 | PTGS2 (0.71) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8163666 | 1.00 | PTGS2 (0.71) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8164859 | 1.00 | PTGS2 (0.71) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8163167 | 1.00 | PTGS2 (0.71) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8158127 | 1.00 | PTGS2 (0.71) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8159314 | 1.00 | PTGS2 (0.71) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8157568 | 1.00 | PTGS2 (0.71) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8150262 | 1.00 | PTGS2 (0.71) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 | |
| SCHEMBL8156523 | 1.00 | PTGS2 (0.71) | PTGS2ALDH1A1CYSLTR2CYSLTR1HDAC3 |
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-1992016233-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO., INC. (US) | 1992-10-01 | — | — | WO | disclosed |