Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.35 |
| ▸ | CHRNG | P07510 | 1/20 | 0.35 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CHRND | Q07001 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4778027 | 0.85 | RAB9A (0.43) | CES2CES1KMT2AMEN1NPC1 | |
| SCHEMBL7832355 | 0.83 | NPC1 (0.47) | CES2CES1KMT2AMEN1ALDH1A1 | |
| SCHEMBL7850769 | 0.82 | RAB9A (0.55) | CES2CES1KMT2AMEN1ALDH1A1 | |
| SCHEMBL7833284 | 0.81 | KMT2A (0.48) | CES2CES1KMT2AMEN1ALDH1A1 | |
| SCHEMBL7832652 | 0.79 | GSK3B (0.44) | KMT2AMEN1ALDH1A1NPC1RAB9A | |
| SCHEMBL6168851 | 0.78 | RAB9A (0.47) | CES2CES1KMT2AMEN1ALDH1A1 | |
| SCHEMBL7839557 | 0.77 | NPC1 (0.51) | CES2CES1KMT2AMEN1LMNA | |
| SCHEMBL7832513 | 0.77 | CTNNB1 (0.44) | CES2CES1KMT2AMEN1ALDH1A1 | |
| SCHEMBL7622865 | 0.77 | TDP1 (0.50) | KMT2AMEN1ALDH1A1LMNANPC1 | |
| SCHEMBL7846518 | 0.76 | CES2 (0.43) | CES2CES1KMT2AMEN1NPC1 |
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-0889878-B1 | BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-09-04 | — | — | EP | disclosed |
| US-5817700-A | ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1998-10-06 | — | — | US | disclosed |