Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9131221 | 0.86 | GAA (0.47) | PDK1PDK2PDK3PDK4GPBAR1 | |
| SCHEMBL8983982 | 0.81 | PDK1 (0.40) | PDK1PDK2PDK3PDK4GPBAR1 | |
| SCHEMBL29714915 | 0.79 | SMN1; SMN2 (0.34) | GPBAR1ALDH1A1HTTKMT2AGAA | |
| SCHEMBL23589367 | 0.79 | SMN1; SMN2 (0.34) | GPBAR1ALDH1A1HTTKMT2AGAA | |
| SCHEMBL8377733 | 0.77 | TAS1R3 (0.34) | GPBAR1ALDH1A1TACR1KMT2AKDM4E | |
| SCHEMBL11789572 | 0.77 | ALDH1A1 (0.41) | GPBAR1ALDH1A1HTTHDAC6TSHR | |
| SCHEMBL8626956 | 0.76 | PDK1 (0.36) | PDK1PDK2PDK3PDK4GPBAR1 | |
| SCHEMBL24193444 | 0.75 | PDK2 (0.39) | PDK1PDK2PDK3PDK4GPBAR1 | |
| SCHEMBL31612303 | 0.75 | ALDH1A1 (0.40) | GPBAR1ALDH1A1HTTHDAC6TSHR | |
| SCHEMBL8544711 | 0.75 | GAA (0.44) | ALDH1A1HTTHDAC6TSHRKMT2A |
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-5883102-A | Pharmaceutically active compounds | ASTRA PHARMACEUTICALS LIMITED (GB) | 1999-03-16 | — | — | US | disclosed |
| EP-0858451-A1 | PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997014686-A1 | PHARMACEUTICALLY ACTIVE QUINAZOLINE COMPOUNDS | ASTRA PHARMACEUTICALS LIMITED (GB) | 1997-04-24 | — | — | WO | disclosed |