Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL952623 | 0.79 | MPO (0.37) | CYP2D6CHEK2MPO | |
| Hydrochloric Acid SCHEMBL2772869 | 0.70 | TAAR1 (0.51) | MPO | |
| SCHEMBL951951 | 0.69 | BRAF (0.46) | — | |
| SCHEMBL11146024 | 0.66 | ALDH1A1 (0.38) | SMN1; SMN2 | |
| SCHEMBL30940314 | 0.66 | ALDH1A1 (0.52) | SMN1; SMN2 | |
| SCHEMBL3277728 | 0.66 | ALDH1A1 (0.52) | SMN1; SMN2 | |
| SCHEMBL917598 | 0.65 | ADORA2A (0.46) | CYP2D6TSHRMPO | |
| Hydrochloric Acid SCHEMBL27778340 | 0.64 | ALDH1A1 (0.50) | SMN1; SMN2 | |
| SCHEMBL12310844 | 0.64 | ALDH1A1 (0.35) | SMN1; SMN2 | |
| SCHEMBL27761647 | 0.63 | SMN1; SMN2 (0.46) | TSHRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |