Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.45 |
| ▸ | LOX | P28300 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8658514 | 0.86 | PTGS2 (0.62) | PTGS2KDM4EALDH1A1RAB9AHSD11B1 | |
| SCHEMBL9693255 | 0.86 | NAMPT (0.45) | PTGS2ALDH1A1RAB9AHSD11B1CA12 | |
| SCHEMBL937206 | 0.85 | PTGS2 (0.61) | PTGS2KDM4EALDH1A1RAB9AHSD11B1 | |
| SCHEMBL29415408 | 0.85 | PTGS2 (0.61) | PTGS2KDM4EALDH1A1RAB9AHSD11B1 | |
| Hydrochloric Acid SCHEMBL7352630 | 0.83 | PTGS2 (0.59) | PTGS2KDM4EALDH1A1RAB9AHSD11B1 | |
| SCHEMBL2447766 | 0.83 | PTGS2 (0.64) | PTGS2KDM4EALDH1A1RAB9AMAOA | |
| SCHEMBL8552729 | 0.82 | CA2 (0.53) | PTGS2CA12CA2CA9ALOX5AP | |
| SCHEMBL6801877 | 0.82 | PTGS2 (0.49) | PTGS2KDM4EALDH1A1RAB9AHSD11B1 | |
| SCHEMBL6904881 | 0.82 | PTGS2 (0.68) | PTGS2KDM4EALDH1A1RAB9AHSD11B1 | |
| SCHEMBL6901981 | 0.82 | PTGS2 (0.68) | PTGS2KDM4EALDH1A1RAB9AHSD11B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7199149-B2 | Monocyclic and bicyclic lactams as factor Xa inhibitors | BRISTOL MYERS SQUIBB COMPANY (US) | 2007-04-03 | — | — | US | disclosed |
| US-7199149-B2 | Monocyclic and bicyclic lactams as factor Xa inhibitors | BRISTOL MYERS SQUIBB COMPANY (US) | 2007-04-03 | — | — | US | disclosed |
| WO-2003101381-A2 | 1,2 DIAMIDO CYCLOALKYL SODIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2003-12-11 | — | — | WO | disclosed |