Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 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 | |
|---|---|---|---|---|
| SCHEMBL3187683 | 0.75 | CYP1A2 (0.46) | CYP1A2CES1CA12CA1CA2 | |
| SCHEMBL856139 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL342180 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL3185210 | 0.71 | CYP2C19 (0.40) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL27713868 | 0.67 | LMNA (0.44) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL5665182 | 0.67 | CES2 (0.67) | CYP1A2CES2CES1CA12CA1 | |
| SCHEMBL28130399 | 0.67 | MAPT (0.41) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL1235122 | 0.67 | KMT2A (0.48) | CYP1A2CES1CYP2D6MAPTKMT2A | |
| SCHEMBL11779390 | 0.67 | MAPT (0.45) | CYP1A2CES2CES1CYP2D6MAPT | |
| SCHEMBL3889406 | 0.66 | KCNN4 (0.52) | CYP1A2CA12CA1CA2CA3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6953788-B1 | 3-mercaptoacetylamino-1,5-substituted-2-oxo-azepan derivatives useful as inhibitors of matrix metalloproteinase | AVENTIS PHARMACEUTICALS INC. (US) | 2005-10-11 | — | — | US | disclosed |
| US-6770640-B1 | EMPHYSEMA | AVENTIS PHARMACEUTICALS INC. | 2004-08-03 | — | — | US | disclosed |
| EP-0928291-B1 | 3-MERCAPTOACETYLAMINO-1,5-SUBSTITUTED-2-OXO-AZEPAN DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE | AVENTIS PHARMA INC (US) | 2002-12-04 | — | — | EP | disclosed |
| EP-1150975-A1 | 1-CARBOXYMETHYL-2-OXO-AZEPAN DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF MMP-12 | Aventis Pharmaceuticals Inc. (US) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000040577-A1 | 1-CARBOXYMETHYL-2-OXO-AZEPAN DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF MMP-12 | AVENTIS PHARMACEUTICALS INC. (US) | 2000-07-13 | — | — | WO | disclosed |
| EP-0928291-A1 | 3-MERCAPTOACETYLAMINO-1,5-SUBSTITUTED-2-OXO-AZEPAN DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE | HOECHST MARION ROUSSEL, INC. (US) | 1999-07-14 | — | — | EP | disclosed |
| WO-1998012211-A1 | 3-MERCAPTOACETYLAMINO-1,5-SUBSTITUTED-2-OXO-AZEPAN DERIVATIVES USEFUL AS INHIBITORS OF MATRIX METALLOPROTEINASE | HOECHST MARION ROUSSEL, INC. (US) | 1998-03-26 | — | — | WO | disclosed |