Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP2 | P42575 | 1/20 | 0.67 |
| ▸ | NAAA | Q02083 | 1/20 | 0.62 |
| ▸ | EPHX1 | P07099 | 8/20 | 0.61 |
| ▸ | FAAH | O00519 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.52 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16582460 | 1.00 | CASP2 (0.67) | CASP2NAAAEPHX1FAAHMEN1 | |
| SCHEMBL5543839 | 1.00 | CASP2 (0.67) | CASP2NAAAEPHX1FAAHMEN1 | |
| SCHEMBL14621023 | 1.00 | CASP2 (0.67) | CASP2NAAAEPHX1FAAHMEN1 | |
| SCHEMBL6281759 | 1.00 | CASP2 (0.67) | CASP2NAAAEPHX1FAAHMEN1 | |
| SCHEMBL6120008 | 1.00 | CASP2 (0.67) | CASP2NAAAEPHX1FAAHMEN1 | |
| SCHEMBL23567381 | 1.00 | CASP2 (0.67) | CASP2NAAAEPHX1FAAHMEN1 | |
| SCHEMBL5327335 | 1.00 | CASP2 (0.67) | CASP2NAAAEPHX1FAAHMEN1 | |
| SCHEMBL5331194 | 1.00 | CASP2 (0.67) | CASP2NAAAEPHX1FAAHMEN1 | |
| SCHEMBL462832 | 0.98 | CASP2 (0.63) | CASP2NAAAEPHX1FAAHMEN1 | |
| SCHEMBL3310816 | 0.91 | — | — |
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-2021126990-A1 | OXYTOCIN DERIVATIVES WITH IMPROVED PROPERTIES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-06-24 | — | — | WO | disclosed |