Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MME | P08473 | 2/20 | 0.35 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.32 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.32 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.32 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.32 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.32 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.31 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1951019 | 0.83 | CHRM1 (0.40) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL10579851 | 0.82 | CYP3A4 (0.39) | CA2 | |
| SCHEMBL2356530 | 0.81 | CA2 (0.42) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28065149 | 0.75 | CHRM1 (0.43) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL4456129 | 0.74 | CA1 (0.33) | CA2 | |
| SCHEMBL2354887 | 0.70 | LMNA (0.36) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL10780956 | 0.68 | LMNA (0.35) | — | |
| SCHEMBL5031485 | 0.67 | TDP1 (0.60) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL14110749 | 0.67 | TDP1 (0.60) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL4951494 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107001562-A | Catalyst for preparing isocyanuric acid ester by isocyanates | 科思创德国股份有限公司 | 2017-08-01 | — | — | CN | disclosed |