Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL25559219 | 0.80 | ALDH1A1 (0.40) | HTTALDH1A1TDP1DNM1CYP3A4 | |
| SCHEMBL22057293 | 0.76 | HTT (0.32) | HTTALDH1A1DNM1CA1CA2 | |
| SCHEMBL2401504 | 0.74 | HTT (0.43) | HTTDNM1CYP3A4USP2CYP1A2 | |
| SCHEMBL28071184 | 0.73 | HTT (0.42) | HTTDNM1USP2SPHK1 | |
| SCHEMBL16281529 | 0.73 | ALDH1A1 (0.44) | HTTALDH1A1TDP1CYP3A4CYP1A2 | |
| SCHEMBL21295572 | 0.72 | HTT (0.44) | HTTDNM1CYP3A4USP2CYP1A2 | |
| SCHEMBL5941003 | 0.70 | HTT (0.33) | HTTALDH1A1CYP3A4USP2CA1 | |
| SCHEMBL7598020 | 0.70 | ALDH1A1 (0.46) | HTTALDH1A1TDP1DNM1CYP3A4 | |
| SCHEMBL5467568 | 0.70 | TDP1 (0.39) | HTTALDH1A1TDP1DNM1CYP3A4 | |
| SCHEMBL5652970 | 0.69 | SPHK1 (0.52) | HTTALDH1A1TDP1CYP3A4CYP1A2 |
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-3321261-B1 | HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES | CURIS INC (US) | 2020-06-17 | — | — | EP | disclosed |