Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | CCR8 | P51685 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18308989 | 1.00 | NOS3 (0.42) | NOS3NOS2HTTRECQLP2RX7 | |
| SCHEMBL3724967 | 1.00 | NOS3 (0.42) | NOS3NOS2HTTRECQLP2RX7 | |
| Hydrochloric Acid SCHEMBL1439127 | 0.98 | NOS3 (0.41) | NOS3NOS2HTTRECQLP2RX7 | |
| Hydrochloric Acid SCHEMBL1439130 | 0.98 | NOS3 (0.41) | NOS3NOS2HTTRECQLP2RX7 | |
| Hydrochloric Acid SCHEMBL29676903 | 0.98 | NOS3 (0.41) | NOS3NOS2HTTRECQLP2RX7 | |
| Hydrochloric Acid SCHEMBL15229206 | 0.98 | NOS3 (0.41) | NOS3NOS2HTTRECQLP2RX7 | |
| SCHEMBL1579654 | 0.82 | NOS3 (0.43) | NOS3NOS2HTTRECQLP2RX7 | |
| SCHEMBL29337219 | 0.81 | IRAK4 (0.40) | NOS2IRAK4PDCD1LG2CD274 | |
| SCHEMBL27485171 | 0.79 | IRAK4 (0.54) | NOS3NOS2HTTRECQLP2RX7 | |
| SCHEMBL13915474 | 0.78 | HTT (0.42) | NOS3NOS2HTTRECQLP2RX7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1692141-A1 | SUBSTITUTED 3-AMINO-THIENO¬2,3-B| PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005056562-A1 | SUBSTITUTED 3-AMINO-THIENO[2,3-B] PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AS IKK INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-06-23 | — | — | WO | disclosed |