Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.45 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.45 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28208999 | 0.87 | SLC1A2 (0.48) | TDP1SLC1A2SLC1A1GRIK1GRIK2 | |
| SCHEMBL13637318 | 0.76 | CHRM1 (0.50) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL3515065 | 0.76 | CHRM1 (0.50) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL7076350 | 0.76 | CHRM1 (0.50) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL3515063 | 0.76 | CHRM1 (0.50) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL15609874 | 0.74 | CHRM1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| Hydrochloric Acid SCHEMBL17287144 | 0.74 | CHRM1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL29957876 | 0.74 | CHRM1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL804557 | 0.74 | CHRM1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL2353225 | 0.74 | TDP1 (0.48) | TDP1CHRM1AKR1A1CHRM3HTR2A |
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-104284891-B | Conformationally constrained, fully synthetic macrocyclic compounds | 波利弗尔股份公司 | 2018-04-17 | — | — | CN | disclosed |