Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.34 |
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 | 0.85 | ALDH1A1 (0.39) | ALDH1A1CA1HDAC2CYP1A2MAPK1 | |
| Fluoride SCHEMBL27260416 | 0.83 | ALDH1A1 (0.38) | ALDH1A1CA1HDAC2CYP1A2MAPK1 | |
| SCHEMBL10744618 | 0.83 | TP53 (0.43) | TP53TAAR1TDP1MAPTLMNA | |
| SCHEMBL9541494 | 0.80 | NFE2L2 (0.52) | ALDH1A1MAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9541503 | 0.80 | TSHR (0.42) | CYP1A2HSD17B10MAPTLMNASIRT1 | |
| SCHEMBL24193844 | 0.80 | ESR1 (0.50) | ALDH1A1CA1TAAR1CYP3A4TDP1 | |
| SCHEMBL9538596 | 0.80 | LMNA (0.42) | ALDH1A1CYP3A4TDP1MAPTLMNA | |
| SCHEMBL14269409 | 0.80 | ALDH1A1 (0.42) | ALDH1A1MAPK1TDP1MAPTLMNA | |
| SCHEMBL14423637 | 0.77 | LTA4H (0.48) | ALDH1A1CA1LMNAL3MBTL1NPC1 | |
| Benzaldehyde SCHEMBL6051056 | 0.76 | ALDH1A1 (0.61) | ALDH1A1MAPK1HSD17B10TDP1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0311955-B1 | BICYCLIC PEROXIDE | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| 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 |
| EP-0311955-A2 | Bicyclic peroxide | F. HOFFMANN-LA ROCHE AG (CH) | 1989-04-19 | — | — | EP | disclosed |