Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 3/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.42 |
| ▸ | GABRD | O14764 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4720269 | 0.91 | KEAP1 (0.48) | KEAP1NFE2L2MAPTRAB9ACA1 | |
| SCHEMBL4722682 | 0.90 | KEAP1 (0.59) | KEAP1NFE2L2MAPTRAB9AALDH1A1 | |
| SCHEMBL4724761 | 0.89 | KEAP1 (0.56) | KEAP1NFE2L2MAPTRAB9AALDH1A1 | |
| SCHEMBL4722720 | 0.88 | KEAP1 (0.49) | KEAP1NFE2L2MAPTRAB9ACA1 | |
| SCHEMBL4720647 | 0.87 | KEAP1 (0.55) | KEAP1NFE2L2MAPTRAB9AALDH1A1 | |
| SCHEMBL4722872 | 0.82 | KEAP1 (0.60) | KEAP1NFE2L2MAPTRAB9AALDH1A1 | |
| SCHEMBL8422149 | 0.78 | PTGS2 (0.66) | — | |
| SCHEMBL8121830 | 0.78 | PTGS2 (0.66) | SMN1; SMN2 | |
| SCHEMBL4720939 | 0.78 | MAPT (0.51) | KEAP1NFE2L2MAPTRAB9AALDH1A1 | |
| SCHEMBL4721400 | 0.78 | KEAP1 (0.44) | KEAP1NFE2L2MAPTRAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | claimed |
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |