Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19789758 | 0.88 | CES2 (0.41) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL19789886 | 0.87 | ALDH1A1 (0.41) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL13620463 | 0.83 | MEN1 (0.39) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL19789724 | 0.83 | MEN1 (0.39) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL19789754 | 0.81 | TSHR (0.41) | ALDH1A1TSHRMAPTMEN1KMT2A | |
| SCHEMBL19789655 | 0.79 | MEN1 (0.36) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL19789678 | 0.77 | ALDH1A1 (0.38) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL12196344 | 0.76 | CES2 (0.55) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL12196623 | 0.75 | MEN1 (0.37) | CES2CES1TP53ALDH1A1TSHR | |
| SCHEMBL12196350 | 0.75 | MEN1 (0.37) | CES2CES1TP53ALDH1A1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2282991-B1 | METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES | SANOFI AVENTIS DEUTSCHLAND (DE) | 2018-01-24 | — | — | EP | disclosed |