Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1132385 | 0.80 | ALDH1A1 (0.39) | NFE2L2HSP90AA1ALDH1A1TSHRMAOB | |
| SCHEMBL9541494 | 0.75 | NFE2L2 (0.52) | NFE2L2ALDH1A1TSHR | |
| SCHEMBL9735643 | 0.72 | HSP90AA1 (0.33) | NFE2L2HSP90AA1TSHR | |
| Benzaldehyde SCHEMBL6051056 | 0.71 | ALDH1A1 (0.61) | HSP90AA1ALDH1A1TSHRMAOBCYP2A6 | |
| SCHEMBL9539397 | 0.68 | ALDH1A1 (0.41) | HSP90AA1ALDH1A1 | |
| SCHEMBL7200192 | 0.67 | ESR1 (0.44) | TSHR | |
| SCHEMBL24193844 | 0.67 | ESR1 (0.50) | NFE2L2HSP90AA1ALDH1A1 | |
| SCHEMBL9538596 | 0.67 | LMNA (0.42) | NFE2L2ALDH1A1TSHRCYP2A6 | |
| SCHEMBL14269409 | 0.67 | ALDH1A1 (0.42) | HSP90AA1ALDH1A1MAOBCYP2A6 | |
| SCHEMBL9541503 | 0.67 | TSHR (0.42) | NFE2L2TSHRMAOBCYP2A6 |
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-5134240-A | Malaria therapy | HOFFMANN-LAROCHE, INC. (US) | 1992-07-28 | — | — | US | disclosed |
| US-4977184-A | Bicyclic peroxides compositions for and treatment of malaria therewith | HOFFMANN-LA ROCHE INC. (US) | 1990-12-11 | — | — | US | disclosed |