Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15132429 | 1.00 | TDP1 (0.44) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL19230440 | 1.00 | TDP1 (0.44) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL19230435 | 0.86 | CA2 (0.40) | SLC1A3SLC1A2SLC1A1FDPSALDH1A1 | |
| SCHEMBL15132427 | 0.86 | CA2 (0.40) | SLC1A3SLC1A2SLC1A1FDPSALDH1A1 | |
| SCHEMBL18031703 | 0.86 | CA2 (0.40) | SLC1A3SLC1A2SLC1A1FDPSALDH1A1 | |
| Acrylamide SCHEMBL28731149 | 0.84 | TSHR (0.39) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL21016297 | 0.84 | GPR84 (0.42) | GRIK1SLC1A2SLC1A1GRIK2FDPS | |
| SCHEMBL6871815 | 0.82 | GPR84 (0.45) | GRIK1GRIK2FDPS | |
| SCHEMBL18762847 | 0.82 | CHRM1 (0.46) | TDP1CHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL8278660 | 0.81 | CHRM1 (0.41) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2017136708-A1 | SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES | THE JOHNS HOPKINS UNIVERSITY (US) | 2017-08-10 | — | — | WO | disclosed |