Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.35 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.35 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9795106 | 1.00 | TDP1 (0.39) | TDP1CNR1CNR2TPSAB1TPSD1 | |
| SCHEMBL9498033 | 1.00 | TDP1 (0.39) | TDP1CNR1CNR2TPSAB1TPSD1 | |
| SCHEMBL9795460 | 0.88 | TDP1 (0.41) | TDP1CNR1CNR2TPSAB1TPSD1 | |
| SCHEMBL9019532 | 0.87 | TDP1 (0.41) | TDP1CNR1CNR2TPSAB1TPSD1 | |
| SCHEMBL9130578 | 0.84 | TDP1 (0.38) | TDP1CNR1CNR2FAAHALDH1A1 | |
| SCHEMBL9127901 | 0.82 | FAAH (0.35) | TDP1CNR1CNR2FAAHALDH1A1 | |
| SCHEMBL9795351 | 0.82 | FAAH (0.35) | TDP1CNR1CNR2FAAHALDH1A1 | |
| SCHEMBL9497877 | 0.82 | FAAH (0.35) | TDP1CNR1CNR2FAAHALDH1A1 | |
| SCHEMBL9499610 | 0.82 | FAAH (0.35) | TDP1CNR1CNR2FAAHALDH1A1 | |
| SCHEMBL9795326 | 0.82 | TDP1 (0.61) | TDP1TPSAB1TPSD1TPSG1ALDH1A1 |
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-0367019-B1 | PHARMACEUTICAL COMPOSITIONS CONTAINING NITROXYALKYL AMINE WITH AN AMIDE FUNCTION, AND METHOD FOR THE PREPARATION OF THE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1993-05-12 | — | — | EP | disclosed |
| EP-0367019-A1 | Pharmaceutical compositions containing nitroxyalkyl amine with an amide function, and method for the preparation of the compounds | Roche Diagnostics GmbH (DE) | 1990-05-09 | — | — | EP | disclosed |