Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.32 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | PLA2G2A | P14555 | 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 | |
|---|---|---|---|---|
| SCHEMBL1780865 | 0.81 | ALDH1A1 (0.37) | OPRM1ALDH1A1TDP1DNM1CA1 | |
| SCHEMBL22019055 | 0.77 | OPRM1 (0.42) | OPRM1SPHK1ALDH1A1TDP1DNM1 | |
| SCHEMBL3141119 | 0.77 | OPRM1 (0.46) | OPRM1SPHK1ALDH1A1TDP1DNM1 | |
| SCHEMBL22213564 | 0.75 | OPRM1 (0.37) | OPRM1SPHK1ALDH1A1TDP1SLC15A1 | |
| SCHEMBL12005838 | 0.74 | ALDH1A1 (0.39) | OPRM1ALDH1A1TDP1DNM1CA1 | |
| SCHEMBL22672448 | 0.73 | ALDH1A1 (0.50) | OPRM1SPHK1ALDH1A1TDP1DNM1 | |
| SCHEMBL26637926 | 0.73 | OPRM1 (0.42) | OPRM1SPHK1ALDH1A1TDP1DNM1 | |
| SCHEMBL11817761 | 0.72 | ALDH1A1 (0.46) | ALDH1A1TDP1DNM1CA1CA2 | |
| SCHEMBL13840135 | 0.72 | DNM1 (0.48) | OPRM1SPHK1ALDH1A1DNM1S1PR2 | |
| SCHEMBL2503665 | 0.72 | ALDH1A1 (0.37) | OPRM1ALDH1A1TDP1DNM1CA1 |
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-3683207-A1 | N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B | Cadent Therapeutics, Inc. (US) | 2020-07-22 | — | — | EP | disclosed |