Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL27517619 | 0.91 | PTGS2 (0.49) | PTGS2ALDH1A1TDP1SMN1; SMN2HDAC2 | |
| SCHEMBL10519643 | 0.82 | ALDH1A1 (0.52) | PTGS2ALDH1A1TDP1MAPK1FFAR1 | |
| SCHEMBL28722296 | 0.81 | TDP1 (0.46) | PTGS2ALDH1A1KEAP1TDP1SMN1; SMN2 | |
| SCHEMBL5640444 | 0.81 | ALDH1A1 (0.51) | PTGS2ALDH1A1TDP1SMN1; SMN2MAPK1 | |
| SCHEMBL7403225 | 0.78 | KEAP1 (0.47) | PTGS2ALDH1A1KEAP1TDP1SMN1; SMN2 | |
| SCHEMBL6441709 | 0.77 | THRB (0.46) | PTGS2ALDH1A1KEAP1TDP1SMN1; SMN2 | |
| SCHEMBL5668820 | 0.76 | ALDH1A1 (0.49) | ALDH1A1TDP1SMN1; SMN2MAPK1NPC1 | |
| SCHEMBL3411003 | 0.75 | TDP1 (0.56) | PTGS2ALDH1A1KEAP1TDP1HDAC2 | |
| SCHEMBL10519638 | 0.75 | TDP1 (0.56) | PTGS2ALDH1A1KEAP1TDP1HDAC2 | |
| Acetone SCHEMBL3486840 | 0.74 | ALDH1A1 (0.70) | ALDH1A1KEAP1TDP1SMN1; SMN2HDAC2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1234718-C | New macrolides with antibacterial activity | BASILEA PHARMACEUTICA AG (CH) | 2006-01-04 | — | — | CN | disclosed |
| CN-1464880-A | New macrolides with antibacterial activity | BASILEA PHARMACEUTICA AG (CH) | 2003-12-31 | — | — | CN | disclosed |
| EP-1313751-A1 | NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY | Basilea Pharmaceutica AG (CH) | 2003-05-28 | — | — | EP | disclosed |
| WO-2002016380-A1 | NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY | BASILEA PHARMACEUTICA AG (CH) | 2002-02-28 | — | — | WO | disclosed |
| EP-0792264-B1 | SULFUR-SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS | SCHERING CORP (US) | 2002-02-27 | — | — | EP | disclosed |
| US-5744467-A | ANTICHOLESTEROL AGENTS | SCHERING CORPORATION | 1998-04-28 | — | — | US | disclosed |
| EP-0792264-A1 | SULFUR-SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS | SCHERING CORPORATION (US) | 1997-09-03 | — | — | EP | disclosed |
| US-5633246-A | Sulfur-substituted azetidinone compounds useful as hypocholesterolemic agents | SCHERING CORPORATION (US) | 1997-05-27 | — | — | US | disclosed |
| US-5624920-A | Sulfur-substituted azetidinone compounds useful as hypocholesterolemic agents | SCHERING CORPORATION (US) | 1997-04-29 | — | — | US | disclosed |
| WO-1996016037-A1 | SULFUR-SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS | SCHERING CORPORATION (US) | 1996-05-30 | — | — | WO | disclosed |
| EP-0310484-A1 | Derivatives of alkadienes, their preparations, medicinal compositions containing them, and intermediates | RHONE-POULENC SANTE (FR) | 1989-04-05 | — | — | EP | disclosed |