Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | BCKDK | O14874 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.35 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.35 |
| ▸ | TSPO | P30536 | 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 | |
|---|---|---|---|---|
| SCHEMBL11240017 | 0.83 | KEAP1 (0.51) | MAPTKDM4EKEAP1NFE2L2BCKDK | |
| SCHEMBL11253511 | 0.83 | KDM4E (0.42) | MAPTKDM4EKEAP1NFE2L2F10 | |
| SCHEMBL11232073 | 0.82 | SIRT1 (0.44) | MAPTKDM4EKEAP1NFE2L2BCKDK | |
| Methane SCHEMBL11235653 | 0.82 | KEAP1 (0.50) | MAPTKDM4EKEAP1NFE2L2BCKDK | |
| SCHEMBL11237145 | 0.82 | NPC1 (0.47) | MAPTALDH1A1RAB9A | |
| Butane SCHEMBL11246725 | 0.82 | KEAP1 (0.47) | MAPTKDM4EKEAP1NFE2L2MAPK1 | |
| Methane SCHEMBL11235493 | 0.81 | SIRT1 (0.43) | MAPTKDM4EKEAP1NFE2L2BCKDK | |
| Methane SCHEMBL11228447 | 0.81 | NPC1 (0.46) | MAPTALDH1A1RAB9A | |
| Butane SCHEMBL11229487 | 0.80 | NPC1 (0.46) | MAPTRAB9A | |
| SCHEMBL11241148 | 0.80 | KLK7 (0.36) | MAPTKDM4EF10MAPK1ALDH1A1 |
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-4334078-A | ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATICS | HOFFMANN-LA ROCHE INC. (US) | 1982-06-08 | — | — | US | disclosed |
| US-4219657-A | USED AS ANTIINFLAMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-08-26 | — | — | US | disclosed |