Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR7 | P34969 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 10/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL441501 | 0.88 | CRBN (0.51) | GRIN2BHTR1ADRD2HTR2AHTR2C | |
| SCHEMBL415385 | 0.85 | GRIN2B (0.47) | GRIN2BHTR1ADRD2HTR2AHTR2C | |
| SCHEMBL414839 | 0.82 | SLC6A2 (0.59) | GRIN2BHTR1ADRD2HTR2AHTR2C | |
| Hydrochloric Acid SCHEMBL447045 | 0.81 | SLC6A2 (0.58) | GRIN2BHTR1ADRD2HTR2AHTR2C | |
| SCHEMBL17707503 | 0.81 | IP6K1 (0.40) | HTR1AHTR2AHTR7SLC6A2SLC6A4 | |
| SCHEMBL17707505 | 0.80 | SLC6A2 (0.42) | HTR1ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1691802 | 0.77 | SLC6A2 (0.70) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1692154 | 0.74 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL12350482 | 0.74 | SMYD3 (0.47) | GRIN2BHTR1ADRD2HTR2AHTR2C | |
| SCHEMBL8117852 | 0.73 | GRIN2B (0.75) | GRIN2BHTR1ADRD2HTR2AHTR2C |
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-2684871-B1 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | HOFFMANN LA ROCHE (CH) | 2016-05-04 | — | — | EP | disclosed |