Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30074519 | 1.00 | CTSK (0.38) | CTSKCTSSNOS1NOS3NOS2 | |
| Methylamine SCHEMBL28388761 | 0.96 | NOS1 (0.39) | CTSKCTSSNOS1NOS3NOS2 | |
| SCHEMBL5949606 | 0.88 | CA2 (0.46) | CTSKCTSSCA1CA2GPR84 | |
| SCHEMBL31460393 | 0.86 | GPR84 (0.52) | CTSKCA1CA2GPR84FFAR1 | |
| SCHEMBL28636377 | 0.84 | GPR84 (0.55) | CA2GPR84FFAR1 | |
| SCHEMBL5593600 | 0.84 | GPR84 (0.55) | CA2GPR84FFAR1 | |
| SCHEMBL9242626 | 0.83 | GPR84 (0.42) | CTSKNOS1NOS3NOS2CA1 | |
| SCHEMBL12216419 | 0.83 | TDP1 (0.36) | NOS1NOS3NOS2CA1CA2 | |
| SCHEMBL473139 | 0.82 | TSHR (0.36) | CTSKCTSSTSHR | |
| SCHEMBL473223 | 0.82 | TSHR (0.36) | CTSKCTSSTSHR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106831463-A | A kind of ENBREL card gives birth to the synthetic method of the intermediate 3- amino bromo- LA tert-butyl esters of -5- | 中国药科大学 | 2017-06-13 | — | — | CN | disclosed |
| CN-101090909-A | Antibacterial amide macrocycles IV | AICURIS GMBH & CO KG (DE) | 2007-12-19 | — | — | CN | disclosed |
| EP-1833794-A1 | 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | Vertex Pharmceuticals Incorporated (US) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006057961-A1 | 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-06-01 | — | — | WO | disclosed |
| EP-1631549-A2 | 3-[2-(3-AMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2006-03-08 | — | — | EP | disclosed |
| EP-1539701-A1 | CASPASE INHIBITORS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004106304-A2 | 3 - [2- (3-AMINO-2-OXO-2H-PYRIDIN-1-YL) - ACETYLAMINO] - 4- OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-12-09 | — | — | WO | disclosed |
| CN-1159289-C | C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cystenine proteases | ������˹ҩƷ��˾ | 2004-07-28 | — | — | CN | disclosed |
| WO-2004002961-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-01-08 | — | — | WO | disclosed |
| EP-1351975-A2 | C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | Idun Pharmaceuticals, Inc. (US) | 2003-10-15 | — | — | EP | disclosed |
| WO-2002057298-A2 | C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES | IDUN PHARMACEUTICALS, INC. (US) | 2002-07-25 | — | — | WO | disclosed |
| EP-1091930-A1 | C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES | Idun Pharmaceuticals, Inc. (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001666-A1 | C-TERMINAL MODIFIED OXAMYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES | IDUN PHARMACEUTICALS, INC. (US) | 2000-01-13 | — | — | WO | disclosed |