Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8829936 | 0.82 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL5411165 | 0.78 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1KMT2ACA14ZDHHC7 | |
| SCHEMBL6671784 | 0.76 | — | — | |
| SCHEMBL4011535 | 0.76 | — | — | |
| SCHEMBL29967486 | 0.75 | SMN1; SMN2 (0.34) | SMN1; SMN2ALDH1A1KMT2ACA14 | |
| SCHEMBL7456894 | 0.73 | HCAR2 (0.39) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL9730229 | 0.73 | FFAR3 (0.35) | — | |
| SCHEMBL4576117 | 0.73 | TP53 (0.42) | ALDH1A1 | |
| SCHEMBL7928848 | 0.72 | — | — | |
| SCHEMBL30782810 | 0.71 | SMN1; SMN2 (0.38) | SMN1; SMN2ALDH1A1CA14CA12 |
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-2001876-A2 | 8-AZABICYCLOÝ3.2.1¨OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | Theravance, Inc. (US) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007103187-A2 | 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2007-09-13 | — | — | WO | disclosed |