Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4787108 | 1.00 | S100B (0.56) | S100BPTGS2PTGS1CA12CA2 | |
| SCHEMBL295243 | 0.93 | S100B (0.64) | S100BPTGS2PTGS1CA12CA2 | |
| SCHEMBL2482983 | 0.93 | S100B (0.64) | S100BPTGS2PTGS1CA12CA2 | |
| SCHEMBL2482981 | 0.93 | S100B (0.64) | S100BPTGS2PTGS1CA12CA2 | |
| SCHEMBL3181342 | 0.93 | S100B (0.64) | S100BPTGS2PTGS1CA12CA2 | |
| SCHEMBL10413111 | 0.89 | S100B (0.59) | S100BPTGS2PTGS1CA12CA2 | |
| SCHEMBL10413110 | 0.89 | S100B (0.59) | S100BPTGS2PTGS1CA12CA2 | |
| SCHEMBL3198697 | 0.88 | PTGS2 (0.53) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL3190840 | 0.88 | PTGS2 (0.53) | PTGS2PTGS1CA12CA2CA9 | |
| SCHEMBL2909491 | 0.88 | PTGS2 (0.53) | PTGS2PTGS1CA12CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1517890-B1 | CATIONICALLY SUBSTITUTED DIPHENYL AZETIDINONES, METHOD FOR THEIR PRODUCTION, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF | SANOFI AVENTIS DEUTSCHLAND (DE) | 2008-07-16 | — | — | EP | disclosed |
| EP-1517890-A1 | CATIONICALLY SUBSTITUTED DIPHENYL AZETIDINONES, METHOD FOR THEIR PRODUCTION, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF | Aventis Pharma Deutschland GmbH (DE) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004000803-A1 | CATIONICALLY SUBSTITUTED DIPHENYL AZETIDINONES, METHOD FOR THEIR PRODUCTION, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2003-12-31 | — | — | WO | disclosed |