Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.46 |
| ▸ | BCKDK | O14874 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
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 | 0.99 | KEAP1 (0.51) | KEAP1NFE2L2SLC22A12BCKDKMCL1 | |
| Butane SCHEMBL11246725 | 0.93 | KEAP1 (0.47) | KEAP1NFE2L2SLC22A12BCKDKMCL1 | |
| SCHEMBL11242088 | 0.91 | BCKDK (0.51) | KEAP1NFE2L2SLC22A12BCKDKMCL1 | |
| Methane SCHEMBL11235493 | 0.87 | SIRT1 (0.43) | KEAP1NFE2L2BCKDKMCL1RXFP1 | |
| SCHEMBL11253511 | 0.87 | KDM4E (0.42) | KEAP1NFE2L2SLC22A12BCKDKMCL1 | |
| SCHEMBL11232073 | 0.86 | SIRT1 (0.44) | KEAP1NFE2L2BCKDKMCL1RXFP1 | |
| SCHEMBL11228298 | 0.84 | CA2 (0.50) | SLC22A12MCL1KDM4EMAPTHPGD | |
| SCHEMBL11246646 | 0.82 | CA2 (0.49) | KDM4EMAPTHPGDHSD17B10CA2 | |
| SCHEMBL11243330 | 0.82 | SLC22A12 (0.45) | SLC22A12MCL1KDM4EMAPTHPGD | |
| SCHEMBL11248087 | 0.82 | PARP1 (0.41) | KEAP1NFE2L2SLC22A12BCKDKMCL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4219657-A | USED AS ANTIINFLAMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1980-08-26 | — | — | US | claimed |
| 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 |