Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | EDNRB | P24530 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | MC3R | P41968 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.42 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6798718 | 1.00 | CYP2C19 (0.47) | CYP2C19SMN1; SMN2NPSR1CYP1A2CYP2D6 | |
| SCHEMBL1343883 | 0.85 | FFAR1 (0.51) | CYP2C19CYP2D6TSHRGABBR2GABBR1 | |
| SCHEMBL27862777 | 0.85 | FFAR1 (0.51) | CYP2C19CYP2D6TSHRGABBR2GABBR1 | |
| SCHEMBL9556420 | 0.85 | FFAR1 (0.51) | CYP2C19CYP2D6TSHRGABBR2GABBR1 | |
| SCHEMBL6801487 | 0.84 | ESR1 (0.56) | CYP2C19CYP1A2TSHRALDH1A1KMT2A | |
| SCHEMBL1754734 | 0.81 | TSHR (0.53) | CYP2C19SMN1; SMN2NPSR1CYP1A2TSHR | |
| SCHEMBL31326025 | 0.81 | TSHR (0.53) | CYP2C19SMN1; SMN2NPSR1CYP1A2TSHR | |
| SCHEMBL11568787 | 0.81 | KMT2A (0.46) | SMN1; SMN2NPSR1TSHRLMNAGABBR2 | |
| SCHEMBL3055864 | 0.81 | TSHR (0.44) | CYP2C19SMN1; SMN2NPSR1CYP1A2CYP2D6 | |
| SCHEMBL3956408 | 0.81 | CYP1A2 (0.62) | CYP2C19SMN1; SMN2NPSR1CYP1A2CYP2D6 |
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-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | claimed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | claimed |
| EP-1694357-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005058348-A1 | USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-30 | — | — | WO | disclosed |
| EP-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |