Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ZDHHC20 | Q5W0Z9 | 2/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20314811 | 1.00 | ALDH1A1 (0.35) | ALDH1A1TSHRZDHHC20ZDHHC2CHRM1 | |
| SCHEMBL17665958 | 1.00 | ALDH1A1 (0.35) | ALDH1A1TSHRZDHHC20ZDHHC2CHRM1 | |
| SCHEMBL10596060 | 0.85 | TSHR (0.38) | ALDH1A1TSHRZDHHC20ZDHHC2HTR2A | |
| SCHEMBL17665959 | 0.85 | TSHR (0.38) | ALDH1A1TSHRZDHHC20ZDHHC2HTR2A | |
| SCHEMBL19771073 | 0.82 | TSHR (0.39) | ALDH1A1TSHRZDHHC20ZDHHC2 | |
| SCHEMBL20126008 | 0.81 | MEN1 (0.35) | TSHRZDHHC20ZDHHC2 | |
| SCHEMBL20656788 | 0.81 | MEN1 (0.35) | TSHRZDHHC20ZDHHC2 | |
| SCHEMBL20125962 | 0.81 | TSHR (0.34) | ALDH1A1TSHRZDHHC20ZDHHC2 | |
| SCHEMBL20126066 | 0.80 | ZDHHC20 (0.36) | TSHRZDHHC20ZDHHC2 | |
| SCHEMBL20126019 | 0.80 | TSHR (0.33) | TSHRZDHHC20ZDHHC2 |
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-3201206-B1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2019-09-18 | — | — | EP | disclosed |