Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.36 |
| ▸ | MC5R | P33032 | 1/20 | 0.36 |
| ▸ | MC3R | P41968 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7876864 | 0.86 | CYP2C19 (0.40) | CYP2C19POLBSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7879161 | 0.81 | GRIK1 (0.43) | CYP2C19HTTPKMSMN1; SMN2 | |
| SCHEMBL4290877 | 0.81 | GRIK1 (0.43) | CYP2C19HTTPKMSMN1; SMN2 | |
| SCHEMBL7873373 | 0.77 | LTB4R (0.44) | CYP2C19ALDH1A1 | |
| SCHEMBL7953565 | 0.77 | FDFT1 (0.43) | — | |
| SCHEMBL7946312 | 0.76 | DPP4 (0.38) | TDP1L3MBTL1 | |
| SCHEMBL28899116 | 0.76 | CYP2C19 (0.53) | CYP2C19POLBSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7874743 | 0.76 | CYP2C19 (0.48) | CYP2C19POLBSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7484097 | 0.75 | ALDH1A1 (0.37) | POLBALDH1A1ADAM17NPC1HTT | |
| SCHEMBL7431816 | 0.75 | PPARA (0.47) | ALDH1A1HTTTSHR |
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-6329400-B1 | INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS | GLAXO WELLCOME INC. | 2001-12-11 | — | — | US | claimed |
| US-6172064-B1 | METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS | GLAXO WELLCOME INC. | 2001-01-09 | — | — | US | claimed |
| US-6172064-B1 | METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS | GLAXO WELLCOME INC. | 2001-01-09 | — | — | US | disclosed |