Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAK | O14976 | 3/20 | 0.54 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.52 |
| ▸ | KIT | P10721 | 6/20 | 0.49 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.49 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.46 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.42 |
| ▸ | PDE4A | P27815 | 1/20 | 0.42 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13746286 | 0.90 | AAK1 (0.50) | GAKAAK1KITNTRK1PIK3CA | |
| SCHEMBL13668879 | 0.88 | KIT (0.50) | GAKAAK1KITNTRK1PIK3CA | |
| SCHEMBL13669264 | 0.88 | PTPN11 (0.50) | GAKAAK1KITNTRK1PIK3CA | |
| SCHEMBL15607500 | 0.88 | AAK1 (0.52) | GAKAAK1KITNTRK1PIK3CA | |
| SCHEMBL4337406 | 0.88 | BRD4 (0.59) | GAKAAK1KITNTRK1PIK3CA | |
| SCHEMBL17200871 | 0.87 | KDR (0.51) | PTPN11BRD4HTR6 | |
| SCHEMBL15821553 | 0.87 | HTR6 (0.46) | GAKPTPN11BRD4HTR6 | |
| SCHEMBL13745607 | 0.86 | GAK (0.43) | GAKAAK1KITNTRK1PIK3CA | |
| SCHEMBL4338266 | 0.83 | AAK1 (0.56) | GAKAAK1KITNTRK1PIK3CA | |
| SCHEMBL4333431 | 0.83 | NOD2 (0.47) | GAKAAK1NOD2NOD1BRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7605168-B2 | Phosphodiesterase 4; asthma, chronic obstructive pulmonary disease, Alzheimer's disease, diffuse large-cell B cell lymphoma, and chronic lymphocytic leukemia; 8-[3-(3,4-dimethoxy-phenyl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline | PLEXXIKON, INC. (US) | 2009-10-20 | — | — | US | disclosed |