Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | NNMT | P40261 | 1/20 | 0.31 |
| ▸ | STK17B | O94768 | 1/20 | 0.31 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL30335232 | 0.78 | — | — | |
| SCHEMBL11901055 | 0.78 | — | — | |
| SCHEMBL27520742 | 0.77 | PLA2G7 (0.40) | KMT2AAAK1HPGDPOLB | |
| SCHEMBL20850921 | 0.76 | ATR (0.39) | CA12CA1CA2CA9LMNA | |
| SCHEMBL27643013 | 0.75 | CYP3A4 (0.32) | CNR2SIRT6LMNA | |
| SCHEMBL27664204 | 0.75 | CNR2 (0.32) | CNR2SIRT6LMNAKMT2ATRPA1 | |
| SCHEMBL31006692 | 0.75 | GABRG2 (0.39) | CNR2CA12CA1CA2CA9 | |
| SCHEMBL27762743 | 0.75 | AAK1 (0.39) | CA12CA1CA2CA9LMNA | |
| SCHEMBL29364468 | 0.72 | ATR (0.42) | CNR2AAK1TRPA1STK17BSTK17A | |
| SCHEMBL15584205 | 0.72 | ATR (0.42) | CNR2CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101379034-B | Benzamide and heteroarene derivatives as CETP inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-28 | — | — | CN | disclosed |
| CN-1852712-B | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE | 2010-06-09 | — | — | CN | disclosed |
| CN-101035533-B | Dual NK1/NK3 antagonists against schizophrenia | HOFFMANN LA ROCHE | 2010-05-05 | — | — | CN | disclosed |
| CN-101379034-A | Benzamide and heteroarene derivatives as CETP inhibitors | HOFFMANN LA ROCHE (CH) | 2009-03-04 | — | — | CN | disclosed |
| CN-101035533-A | Dual NK1/NK3 antagonists against schizophrenia | HOFFMANN LA ROCHE (CH) | 2007-09-12 | — | — | CN | disclosed |
| CN-1852712-A | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE (CH) | 2006-10-25 | — | — | CN | disclosed |