Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | GRIK1 | P39086 | 6/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.38 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.38 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 4/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 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 | |
|---|---|---|---|---|
| SCHEMBL21345666 | 0.80 | FFAR3 (0.43) | TDP1GRIK1GRIA4GRIK3GRIK5 | |
| SCHEMBL10068031 | 0.80 | GRIK1 (0.38) | ALDH1A1TDP1GRIK1GRIA4GRIK3 | |
| SCHEMBL21345146 | 0.80 | GRIK1 (0.38) | ALDH1A1TDP1GRIK1GRIA4GRIK3 | |
| SCHEMBL33273 | 0.80 | FFAR3 (0.43) | TDP1GRIK1GRIA4GRIK3GRIK5 | |
| SCHEMBL16021873 | 0.80 | TDP1 (0.43) | ALDH1A1TDP1GRIK1GRIA4GRIK3 | |
| SCHEMBL14771690 | 0.80 | GRIK1 (0.38) | ALDH1A1TDP1GRIK1GRIA4GRIK3 | |
| SCHEMBL16359636 | 0.80 | FFAR3 (0.43) | TDP1GRIK1GRIA4GRIK3GRIK5 | |
| SCHEMBL21795118 | 0.78 | GRIK1 (0.36) | GRIK1GRIA4GRIK3GRIK5GRIK2 | |
| SCHEMBL16024564 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TDP1GRIK1GRIA4GRIK3 | |
| SCHEMBL12280967 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014138437-A1 | STEROID CONJUGATES | ALLERGAN, INC. (US) | 2014-09-12 | — | — | WO | disclosed |
| WO-2014138403-A1 | ANTIBIOTIC CONJUGATES | ALLERGAN, INC. (US) | 2014-09-12 | — | — | WO | disclosed |