Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.53 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 2/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 4/20 | 0.51 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 2/20 | 0.50 |
| ▸ | PPARA | Q07869 | 2/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5319502 | 1.00 | NR4A1 (0.53) | NR4A1NR4A2NR4A3BCHEALOX5 | |
| SCHEMBL13110184 | 1.00 | NR4A1 (0.53) | NR4A1NR4A2NR4A3BCHEALOX5 | |
| SCHEMBL6478909 | 0.85 | MAOB (0.41) | BCHEALOX5PTGS1PTGS2MAOB | |
| SCHEMBL6478902 | 0.85 | MAOB (0.41) | BCHEALOX5PTGS1PTGS2MAOB | |
| SCHEMBL13126086 | 0.85 | MEN1 (0.48) | BCHEALOX5LTA4HPPARGPPARA | |
| SCHEMBL1834351 | 0.84 | TSHR (0.50) | PTGS1CYP1A2SLC6A2SLC6A3 | |
| SCHEMBL1639928 | 0.84 | TSHR (0.50) | PTGS1CYP1A2SLC6A2SLC6A3 | |
| SCHEMBL475639 | 0.84 | TSHR (0.50) | PTGS1CYP1A2SLC6A2SLC6A3 | |
| SCHEMBL17931585 | 0.83 | MAOB (0.58) | BCHEALOX5PTGS1PTGS2MAOB | |
| SCHEMBL7420165 | 0.83 | OPRD1 (0.56) | — |
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-1287006-B1 | ANTITUMORAL COMPOUNDS | PHARMA MAR SA (ES) | 2007-10-24 | — | — | EP | disclosed |
| WO-1993013066-A1 | CYCLIC AMIDES OF 3-AMINO-2-HYDROXY-CARBOXYLIC ACIDS AS HIV-PROTEASE INHIBITORS | SYNTEX (U.S.A.) INC. (US) | 1993-07-08 | — | — | WO | disclosed |