Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 13/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 4/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 2/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 2/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | C5 | P01031 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL11754145 | 0.92 | MAPK14 (0.43) | MAPK14ADORA2AKDM4ECYP3A4HPGD | |
| SCHEMBL11756178 | 0.91 | MAPK14 (0.42) | MAPK14ADORA2AKDM4ECYP3A4HPGD | |
| SCHEMBL11752979 | 0.90 | MAPK14 (0.41) | MAPK14ADORA2AKDM4ECYP3A4HPGD | |
| SCHEMBL926216 | 0.86 | MAPK14 (0.55) | MAPK14ADORA2AKDM4ECYP3A4HPGD | |
| Mercaptopropionic Acid SCHEMBL11745595 | 0.84 | ADORA2A (0.48) | MAPK14ADORA2AKDM4ECYP3A4HPGD | |
| 2-Mercaptoethanol SCHEMBL11750992 | 0.84 | MAPK14 (0.45) | MAPK14MEN1KMT2A | |
| SCHEMBL6481054 | 0.84 | MAPK14 (0.58) | MAPK14ADORA2AKDM4ECYP3A4HPGD | |
| 2-Mercaptoethanol SCHEMBL11751369 | 0.83 | HSD17B10 (0.47) | MAPK14ADORA2AKDM4ECYP3A4HPGD | |
| SCHEMBL11756258 | 0.83 | MAPK14 (0.46) | MAPK14ADORA2AKDM4ECYP3A4HPGD | |
| SCHEMBL11753287 | 0.82 | RXRA (0.49) | MAPK14ADORA2AKDM4ECYP3A4HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4051250-A | OXAZOLE, THIAZOLE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-27 | — | — | US | disclosed |
| US-3933840-A | ANTIPHLOGISTIC | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-01-20 | — | — | US | disclosed |