Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 10/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 8/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSH | P09668 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3343893 | 0.79 | BACE1 (0.56) | BCHEBACE1 | |
| SCHEMBL7312407 | 0.79 | BCHE (0.49) | BCHEBACE1SLC6A11 | |
| SCHEMBL5393871 | 0.78 | OPRM1 (0.45) | SCN9AOPRM1OPRD1OPRK1 | |
| SCHEMBL5393866 | 0.78 | OPRM1 (0.45) | SCN9AOPRM1OPRD1OPRK1 | |
| SCHEMBL5404351 | 0.78 | BCHE (0.43) | BCHEBACE1SCN9AOPRK1 | |
| SCHEMBL5404358 | 0.78 | BCHE (0.43) | BCHEBACE1SCN9AOPRK1 | |
| SCHEMBL28837742 | 0.77 | SCN9A (0.47) | ATMSCN9AOPRM1OPRD1OPRK1 | |
| SCHEMBL28837747 | 0.77 | SCN9A (0.47) | ATMSCN9AOPRM1OPRD1OPRK1 | |
| SCHEMBL27625579 | 0.77 | ATM (0.56) | BCHEATMBACE1SLC6A11 | |
| SCHEMBL28755814 | 0.77 | CYP3A4 (0.42) | ATMBACE1SCN9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101090883-A | Substituted hydroxyethylamines | ELAN PHARM INC (US) | 2007-12-19 | — | — | CN | disclosed |
| CN-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARM INC (US) | 2006-04-12 | — | — | CN | disclosed |