Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539528 | 0.81 | ALDH1A1 (0.48) | CYP1A2NR1H3TSHRKIF11RAB9A | |
| SCHEMBL1132385 | 0.79 | ALDH1A1 (0.39) | CYP1A2ALOX5TSHRMAPTMEN1 | |
| SCHEMBL9538596 | 0.78 | LMNA (0.42) | TSHRMAPTHPGDSMN1; SMN2LMNA | |
| SCHEMBL9539397 | 0.75 | ALDH1A1 (0.41) | CYP1A2MAPTSMN1; SMN2LMNATDP1 | |
| SCHEMBL24193844 | 0.74 | ESR1 (0.50) | MAPTMEN1GAAHPGDKMT2A | |
| SCHEMBL9541503 | 0.74 | TSHR (0.42) | CYP1A2TSHRMAPTLMNA | |
| SCHEMBL9541494 | 0.74 | NFE2L2 (0.52) | TSHRMAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14269409 | 0.74 | ALDH1A1 (0.42) | MAPTMEN1GAAHPGDKMT2A | |
| SCHEMBL7535089 | 0.73 | CYP1A2 (0.55) | TRPV1ESRRGCYP1A2NR1H2NR1H3 | |
| SCHEMBL6546384 | 0.73 | CYP1A2 (0.55) | TRPV1ESRRGCYP1A2NR1H2NR1H3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0311955-B1 | BICYCLIC PEROXIDE | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | 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 |