Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 3/20 | 0.33 |
| ▸ | ADH1C | P00326 | 2/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.32 |
| ▸ | LSS | P48449 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | AGTR2 | P50052 | 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 | |
|---|---|---|---|---|
| SCHEMBL17861657 | 0.77 | CYP2D6 (0.36) | — | |
| SCHEMBL21539789 | 0.77 | ADH1C (0.34) | ADH1AADH1C | |
| SCHEMBL25593112 | 0.75 | TSHR (0.41) | SMN1; SMN2ADH1AADH1CADH4LSS | |
| SCHEMBL1306104 | 0.72 | PYGL (0.32) | — | |
| SCHEMBL28696587 | 0.70 | SIGMAR1 (0.36) | SMN1; SMN2HTR2AHTR2C | |
| SCHEMBL24508688 | 0.69 | PIK3CD (0.50) | — | |
| SCHEMBL13306233 | 0.69 | LSS (0.36) | SLC6A2SLC6A4SLC6A3SMN1; SMN2LSS | |
| SCHEMBL1306894 | 0.68 | L3MBTL3 (0.41) | ADH1AADH1CHTR2AHTR2C | |
| SCHEMBL24437849 | 0.68 | ADH1A (0.43) | ADH1AADH1C | |
| SCHEMBL6043997 | 0.68 | NPC1 (0.33) | SLC6A3HTR2AHTR2C |
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-2816040-A1 | Process for the production of CCR2 receptor antagonists and intermediates thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-12-24 | — | — | EP | disclosed |