Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.53 |
| ▸ | KDM1A | O60341 | 1/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11749855 | 0.93 | ADORA1 (0.53) | ADORA1ADORA2AKDM1APTGS1PTGS2 | |
| SCHEMBL11754235 | 0.93 | ADORA2A (0.47) | ADORA1ADORA2AKDM1APTGS1PTGS2 | |
| SCHEMBL11753179 | 0.86 | ALDH1A1 (0.60) | KDM1APTGS1PTGS2SMN1; SMN2ALDH1A1 | |
| SCHEMBL11751671 | 0.84 | LMNA (0.54) | ADORA1ADORA2AKDM1APTGS2SMN1; SMN2 | |
| SCHEMBL11753711 | 0.84 | RORB (0.47) | KDM1ANPC1TP53TSHRRAB9A | |
| SCHEMBL11755296 | 0.83 | KDM4E (0.55) | KDM1APTGS1PTGS2NPC1RAB9A | |
| SCHEMBL11752931 | 0.83 | KDM4E (0.55) | KDM1APTGS1PTGS2NPC1RAB9A | |
| SCHEMBL11753624 | 0.81 | ADORA2A (0.50) | ADORA1ADORA2ANPC1TP53NFKB1 | |
| SCHEMBL11751969 | 0.79 | LMNA (0.48) | NPC1TSHRRAB9ARELASMN1; SMN2 | |
| SCHEMBL11751150 | 0.79 | ADORA1 (0.58) | ADORA1ADORA2ANPC1TP53NFKB1 |
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 |