Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.40 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.40 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5384679 | 0.86 | CALM1 (0.42) | CALM1CYP19A1PTPN1NOS2MET | |
| SCHEMBL6600291 | 0.85 | MEN1 (0.51) | MEN1KMT2ATDP1 | |
| SCHEMBL6983275 | 0.79 | QRFPR (0.44) | NOS2MEN1KMT2ATDP1 | |
| SCHEMBL6983272 | 0.79 | QRFPR (0.44) | NOS2MEN1KMT2ATDP1 | |
| SCHEMBL5383934 | 0.73 | MEN1 (0.47) | MEN1KMT2ATDP1 | |
| SCHEMBL7490994 | 0.72 | MET (0.48) | CALM1CYP19A1PTPN1NOS2MET | |
| SCHEMBL15266418 | 0.72 | LPAR1 (0.57) | TSHRL3MBTL1LPAR1LPAR5MEN1 | |
| SCHEMBL15264312 | 0.70 | AOC3 (0.52) | CALM1TSHRLPAR1LPAR5 | |
| SCHEMBL5739117 | 0.70 | LPAR1 (0.59) | L3MBTL1LPAR1LPAR5 | |
| SCHEMBL6896587 | 0.69 | NFKB1 (0.58) | CYP19A1NFKB1NFKB2RELAMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1265891-B1 | NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES | CONSEILS DE RECH SET D APPLIC (FR) | 2004-12-29 | — | — | EP | disclosed |
| EP-1169316-B9 | NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SOD CONSEILS RECH APPLIC (FR) | 2003-10-29 | — | — | EP | disclosed |
| US-6605637-B1 | Nitrogen monoxide synthase inhibitors; such as n-(4-(((2-thienyl)(imino)methyl)amino)phenyl)-1,2-dithiolane-3-pentamide | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2003-08-12 | — | — | US | disclosed |
| EP-1169316-B1 | NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SOD CONSEILS RECH APPLIC (FR) | 2003-03-05 | — | — | EP | disclosed |
| EP-1169316-A1 | NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000059899-A1 | NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SOCIETE DE CONSEIL DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2000-10-12 | — | — | WO | disclosed |