Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.34 |
| ▸ | RBBP9 | O75884 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | GPR88 | Q9GZN0 | 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 | |
|---|---|---|---|---|
| SCHEMBL2053962 | 0.89 | AOC3 (0.37) | AOC3ALDH1A1DRD4RBBP9MEN1 | |
| SCHEMBL2036893 | 0.86 | RBBP9 (0.39) | AOC3ALDH1A1DRD4RBBP9MEN1 | |
| SCHEMBL30537972 | 0.76 | HDAC2 (0.36) | AOC3ALDH1A1DRD4GRM5GRM1 | |
| SCHEMBL2038839 | 0.76 | GPR88 (0.42) | AOC3ALDH1A1GRM5GRM1RBBP9 | |
| SCHEMBL2014387 | 0.76 | ALDH1A1 (0.34) | AOC3ALDH1A1DRD4GRM5GRM1 | |
| SCHEMBL2046508 | 0.75 | KDM4E (0.37) | AOC3ALDH1A1DRD4KDM4CGRM5 | |
| SCHEMBL27842894 | 0.75 | MEN1 (0.43) | AOC3ALDH1A1DRD4RBBP9MEN1 | |
| SCHEMBL2014210 | 0.74 | KDM4E (0.43) | DRD4KDM4CRBBP9MEN1HTT | |
| SCHEMBL2037647 | 0.74 | KDM4E (0.47) | DRD4KDM4CRBBP9MEN1HTT | |
| SCHEMBL30343662 | 0.74 | MEN1 (0.36) | AOC3DRD4RBBP9MEN1HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010118208-A1 | BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER | EXELIXIS, INC. (US) | 2010-10-14 | — | — | WO | disclosed |