Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.53 |
| ▸ | GCLC | P48506 | 1/20 | 0.51 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.49 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 5/20 | 0.45 |
| ▸ | FAAH | O00519 | 3/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9067216 | 0.98 | NOS2 (0.54) | NOS2GCLCGRIK1GRIK2CA2 | |
| SCHEMBL28583479 | 0.79 | NOS2 (0.53) | NOS2GCLCGRIK1GRIK2CA2 | |
| SCHEMBL27967067 | 0.79 | NOS2 (0.53) | NOS2GCLCGRIK1GRIK2CA2 | |
| Hydrochloric Acid SCHEMBL9359667 | 0.79 | ACE2 (0.49) | CA2CES1FAAHCES2GPR84 | |
| SCHEMBL13900351 | 0.78 | NOS2 (0.55) | NOS2GCLCGRIK1GRIK2SLC1A2 | |
| SCHEMBL8951292 | 0.78 | NOS2 (0.55) | NOS2GCLCGRIK1GRIK2SLC1A2 | |
| SCHEMBL755869 | 0.78 | GCLC (0.59) | NOS2GCLCGRIK1GRIK2SLC1A2 | |
| SCHEMBL6906378 | 0.78 | ACE2 (0.47) | GCLCCA2CES1FAAHCES2 | |
| SCHEMBL11738674 | 0.78 | GCLC (0.59) | NOS2GCLCGRIK1GRIK2SLC1A2 | |
| SCHEMBL11794805 | 0.78 | CA2 (0.52) | CA2CES1FAAHCES2 |
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-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | disclosed |