Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.34 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.34 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18209591 | 0.79 | CA1 (0.36) | CA1CA2SLC1A2SLC1A1GRIK1 | |
| SCHEMBL10806470 | 0.78 | CA2 (0.39) | CA1CA2SLC1A2SLC1A1GRIK1 | |
| SCHEMBL28436195 | 0.76 | FDPS (0.42) | CA1CA2SLC1A2SLC1A1GRIK1 | |
| SCHEMBL24146801 | 0.76 | CA1 (0.31) | CA1CA2 | |
| SCHEMBL277089 | 0.73 | CA1 (0.32) | CA1CA2LMNAHSD17B10 | |
| SCHEMBL12330607 | 0.72 | GRIK1 (0.35) | CA1CA2SLC1A2SLC1A1GRIK1 | |
| SCHEMBL28370308 | 0.70 | CA1 (0.34) | CA1CA2 | |
| SCHEMBL21673420 | 0.70 | CA1 (0.34) | CA1CA2 | |
| SCHEMBL27806631 | 0.68 | CA2 (0.43) | CA1CA2SLC1A2SLC1A1GRIK1 | |
| Hydrochloric Acid SCHEMBL7840199 | 0.68 | SLC1A2 (0.39) | CA1CA2SLC1A2SLC1A1GRIK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9837622-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2017-12-05 | — | — | US | disclosed |