Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6289025 | 1.00 | ACHE (0.42) | ACHEEPHX2DRD2DRD4BRD4 | |
| SCHEMBL6285053 | 0.79 | ACHE (0.40) | ACHEEPHX2DRD2DRD4BRD4 | |
| SCHEMBL6285059 | 0.79 | ACHE (0.40) | ACHEEPHX2DRD2DRD4BRD4 | |
| SCHEMBL6285055 | 0.79 | ACHE (0.40) | ACHEEPHX2DRD2DRD4BRD4 | |
| SCHEMBL6287411 | 0.71 | MEN1 (0.42) | ACHEEPHX2DRD2DRD4BRD4 | |
| SCHEMBL6280465 | 0.71 | ALDH1A1 (0.43) | ACHEEPHX2DRD2DRD4BRD4 | |
| SCHEMBL6284400 | 0.71 | KDM4E (0.45) | ACHEEPHX2DRD2DRD4BRD4 | |
| SCHEMBL6284373 | 0.69 | KMT2A (0.48) | KDM4EALDH1A1MAPTPOLB | |
| SCHEMBL10672127 | 0.68 | ACHE (0.62) | ACHEEPHX2BRD4CREBBPPARP1 | |
| SCHEMBL2937252 | 0.66 | SIGMAR1 (0.44) | ACHEALDH1A1 |
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-6927294-B1 | Nitrogen-containing heterocycles | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2005-08-09 | — | — | US | disclosed |