Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 14/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.33 |
| ▸ | NR4A3 | Q92570 | 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 | |
|---|---|---|---|---|
| SCHEMBL11825586 | 0.92 | MAPK14 (0.41) | MAPK14ADORA2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL11754687 | 0.89 | MAPK14 (0.39) | MAPK14ADORA2AKDM4EMEN1ALDH1A1 | |
| 2-Mercaptoethanol SCHEMBL11752092 | 0.81 | MAPK14 (0.46) | MAPK14ADORA2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL926216 | 0.80 | MAPK14 (0.55) | MAPK14ADORA2AKDM4EMEN1ALDH1A1 | |
| Mercaptopropionic Acid SCHEMBL11745595 | 0.79 | ADORA2A (0.48) | MAPK14ADORA2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL6481054 | 0.79 | MAPK14 (0.58) | MAPK14ADORA2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL11751610 | 0.78 | MAPK14 (0.43) | MAPK14ADORA2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL11754145 | 0.78 | MAPK14 (0.43) | MAPK14ADORA2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL11751113 | 0.77 | ADORA2A (0.52) | MAPK14ADORA2AKDM4EMEN1ALDH1A1 | |
| SCHEMBL11753287 | 0.77 | RXRA (0.49) | MAPK14ADORA2AKDM4EMEN1ALDH1A1 |
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-3933840-A | ANTIPHLOGISTIC | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-01-20 | — | — | US | disclosed |