Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 4/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 3/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL503603 | 1.00 | CYP2D6 (0.43) | CYP2D6SRCDPP4LMNAMAPK1 | |
| SCHEMBL503566 | 1.00 | CYP2D6 (0.43) | CYP2D6SRCDPP4LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL28324487 | 0.98 | CYP2D6 (0.42) | CYP2D6SRCDPP4LMNAMAPK1 | |
| SCHEMBL3644037 | 0.81 | KMT2A (0.51) | CYP2D6LMNAMAPK1MEN1CYP1A2 | |
| SCHEMBL7904211 | 0.81 | CYP2D6 (0.43) | CYP2D6SRCDPP4LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL427902 | 0.79 | SLC6A2 (0.42) | CYP2D6SRCDPP4LMNAMAPK1 | |
| SCHEMBL28066397 | 0.77 | CYP2D6 (0.43) | CYP2D6SRCLMNAMAPK1PDPK1 | |
| SCHEMBL8737350 | 0.77 | SRC (0.43) | CYP2D6SRCLMNAMAPK1PDPK1 | |
| SCHEMBL1666957 | 0.77 | GABBR2 (0.47) | PDPK1GRM2GRM3CYP2C19KMT2A | |
| Trifluoroacetic Acid SCHEMBL918979 | 0.76 | SLC1A3 (0.44) | CYP2D6SRCDPP4LMNAMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8343928-B2 | Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus | SEATTLE GENETICS, INC. (US) | 2013-01-01 | — | — | US | disclosed |
| EP-1732534-A1 | USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS | Applied Research Systems ARS Holding N.V. (AN) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005082347-A1 | USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS | APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2005-09-09 | — | — | WO | disclosed |