Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | ATP4A | P20648 | 1/20 | 0.34 |
| ▸ | ATP4B | P51164 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9517485 | 0.92 | ATP4A (0.38) | DHFRBACE1GAAATP4AATP4B | |
| SCHEMBL6184532 | 0.83 | DHFR (0.41) | DHFRBACE1ATP4AATP4BALDH1A1 | |
| SCHEMBL2558288 | 0.82 | BACE1 (0.40) | DHFRBACE1GAASLC6A2SLC6A4 | |
| SCHEMBL394899 | 0.82 | NOS3 (0.45) | DHFRBACE1GAASLC6A2SLC6A4 | |
| SCHEMBL9778643 | 0.80 | GAA (0.52) | DHFRBACE1GAASLC6A2SLC6A4 | |
| SCHEMBL12648273 | 0.80 | GABRA1 (0.43) | POLBMAPTGABRA1GABRB2 | |
| SCHEMBL571551 | 0.79 | ALDH1A1 (0.46) | GAAALDH1A1MAPTGFERSKP2 | |
| SCHEMBL6180538 | 0.78 | KDM4C (0.34) | BACE1MAPTTAAR1HTT | |
| SCHEMBL13586648 | 0.78 | TRPA1 (0.47) | BACE1GAAALDH1A1POLBMAPT | |
| SCHEMBL20124807 | 0.77 | SKP2 (0.46) | BACE1ALDH1A1MAPTGFERSKP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1991531-A1 | CINNOLINE AND QUINOXALINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS | Amgen Inc. (US) | 2008-11-19 | — | — | EP | disclosed |
| EP-1989195-A1 | PHOSPHODIESTERASE 10 INHIBITORS | Amgen Inc. (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007103260-A1 | PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2007-09-13 | — | — | WO | disclosed |
| WO-2007100880-A1 | CINNOLINE AND QUINAZOLINE DERIVATES AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2007-09-07 | — | — | WO | disclosed |